TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 11 10  0  0  0  0            999 V2000
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3011   -0.7502    0.0000 O   0  0
    1.3000    0.7500    0.0000 P   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0011    1.5002    0.0000 O   0  0
    3.9000    0.7500    0.0000 P   0  0
    5.1992    0.0004    0.0000 O   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.1989    1.5002    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  4  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23385

> <plate>
PLATE 001

> <well>
A2

> <supplier_cmpd_name>
Etidronate

> <ctcr_id>
10900

> <supplier_cmpd_id>
.

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

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

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

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

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

> <broad_targets>
{ATP6V1A,PTPRS}

> <broad_moa>
{"bone resorption inhibitor"}

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

> <pdid>
PD009821

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

> <classes>
{Microbiology&Virology,Others}

> <pubchem_cids>
{3305}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 30 33  0  0  0  0            999 V2000
   15.6025    1.5193    0.0000 C   0  0
   14.3024    0.7712    0.0000 O   0  0
   14.2993   -0.7296    0.0000 C   0  0
   15.5984   -1.4796    0.0000 C   0  0
   15.5984   -2.9796    0.0000 C   0  0
   14.2994   -3.7296    0.0000 C   0  0
   13.0004   -2.9797    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 18  1  0
 30 22  2  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23386

> <plate>
PLATE 001

> <well>
A3

> <supplier_cmpd_name>
Carvedilol

> <ctcr_id>
1656

> <supplier_cmpd_id>
.

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

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

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

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

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

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

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

> <pdid>
PD001210

> <targets>
{Adrenergic Receptor,Autophagy}

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

> <pubchem_cids>
{2585}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 15 15  0  0  1  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5998    1.4987    0.0000 C   0  0  2  0  0  0
   -3.8976    0.7465    0.0000 C   0  0
   -2.6028    2.9995    0.0000 C   0  0
   -1.3050    3.7516    0.0000 O   0  0
   -3.9029    3.7477    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  0
 13 15  2  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23387

> <plate>
PLATE 001

> <well>
A4

> <supplier_cmpd_name>
Dexibuprofen

> <ctcr_id>
4856

> <supplier_cmpd_id>
.

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

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

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

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

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

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

> <broad_moa>
{"cyclooxygenase inhibitor"}

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

> <pdid>
PD001306

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{39912}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23388

> <plate>
PLATE 001

> <well>
A5

> <supplier_cmpd_name>
Menadione

> <ctcr_id>
4412

> <supplier_cmpd_id>
.

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

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

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

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

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

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

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

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

> <pdid>
PD001331

> <targets>
{}

> <classes>
{"prothrombogenic agent"}

> <pubchem_cids>
{4055}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 24 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -15.5995    1.4746    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12  3  1  0
 12 13  2  0
  9 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23389

> <plate>
PLATE 001

> <well>
A6

> <supplier_cmpd_name>
Idebenone

> <ctcr_id>
6287

> <supplier_cmpd_id>
.

> <smiles>
COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO

> <pd_targets>
{LMNA,RORC,MAPT,TGR,FTL,MAPK1,SIRT2,ALD,HTT,CYP2C9,CYP2D6,CYP3A4,CYP2C19}

> <pathway_gtopdb>
{"Other nuclear protein","Transcription factor","Other cytosolic protein",Enzyme,"Unclassified protein","Epigenetic regulator","Nuclear receptor",Kinase,Eraser,"Cytochrome P450",Transferase,"Nuclear h
ormone receptor subfamily 1","Protein Kinase","Histone deacetylase","Cytochrome P450 family 2","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","HD
AC class III","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome 
P450 2C9","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C19","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Cytochrome P450","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families
","3.5.1.- Histone deacetylases (HDACs)","CYP2 family: drug metabolising subset","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Neuronal System","Vesicle-mediated transport","Immune System",Metabolism,Mitotic,"RNA Polymerase II Transcription","Transmission across Chemical Synaps
es","Membrane Trafficking","Innate Immune System","Biological oxidations","Metabolism of lipids","M Phase","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmiss
ion","trans-Golgi Network Vesicle Budding","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic Metaphase and A
naphase","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regul
ation by MECP2","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation
 events","MyD88 cascade initiated on plasma membrane","Regulation of MECP2 expression and activity",Xenobiotics,"Biosynthesis of maresins","Nuclear Envelope (NE) Reassembly","Activation of AMPK downst
ream of NMDARs","MAP kinase activation","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases",
"ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"calcium channel modulator"}

> <synonyms>
{idebenone,58186-27-9,58186279,Idebenona,Idebenonum,"CV 2619","2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","2(10hydroxydecyl)5,6dimethoxy3methylcyclohexa2,5diene1,4dione",
CV-2619,CV2619,UNII-HB6PN45W4J,UNIIHB6PN45W4J,"BRN 2001459",CHEBI:31687,"2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone","2(10Hydroxydecyl)5,6dimethoxy3methylpbenzoquinone",2-(10,2(10,T0412
,SAM001246700,Prestw-1288,Idebenone,CPD000466364}

> <pdid>
PD000297

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3686}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 20 21  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 S   0  0
    1.2810    2.2196    0.0000 O   0  0
   -0.0353    4.4996    0.0000 O   0  0
   -3.8963    3.7531    0.0000 C   0  0
   -3.8942    5.2531    0.0000 Cl  0  0
   -5.1966    3.0053    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 12 14  2  0
 10 15  1  0
 15 16  1  0
 15 17  1  0
  8 18  1  0
 18 19  2  0
 19  5  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23390

> <plate>
PLATE 001

> <well>
A7

> <supplier_cmpd_name>
Trichlormethiazide

> <ctcr_id>
677

> <supplier_cmpd_id>
.

> <smiles>
N[S](=O)(=O)c1cc2c(NC(N[S]2(=O)=O)C(Cl)Cl)cc1Cl

> <pd_targets>
{CA5A,CA7,CA13,CA4,AMPC,CA14,CA2,CA12,CA5B,CA6,CA9,CA1,SLC12A3,ATP1A1,LMNA,HTT}

> <pathway_gtopdb>
{Enzyme,Transporter,Lyase,Hydrolase,"Electrochemical transporter","Primary active transporter","SLC superfamily of solute carriers","P-type ATPase","SLC12 family of cation-coupled chloride transporter
s","Sodium potassium ATPase","Other nuclear protein","Unclassified protein"}

> <pathway_chembl>
{Enzymes,Transporters,"Carbonic anhydrases","SLC superfamily of solute carriers","P-type ATPases","SLC12 family of cation-coupled chloride transporters","P2C P-type ATPases",Na<sup>+</sup>/K<sup>+</su
p>-ATPases}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Cellular responses to external stimuli","Immune System",Disease,"Reversible hydration of carbon dioxide","O2/CO2 exchange in erythrocytes","Cellular respons
es to stress","Cytokine Signaling in Immune system","Disorders of transmembrane transporters","Infectious disease","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxi
a","Signaling by Interleukins","SLC transporter disorders","SARS-CoV Infections","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","Defective SLC12A3 causes
 Gitelman syndrome (GS)","Potential therapeutics for SARS","Interleukin-12 signaling","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Cell Cycle","Gene expression
 (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Mitotic Anaphase","Regulat
ion of MECP2 expression and activity","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PTGS1,PTGS2,SLC12A1}

> <broad_moa>
{"chloride channel blocker"}

> <synonyms>
{trichlormethiazide,133-67-5,133675,Trichloromethiazide,Naqua,Metahydrin,Trichlormetazid,Achletin,Trichlormethiazid,Diu-Hydrin,DiuHydrin,Chlopolidine,Hydrotrichlorothiazide,Aponorin,Cretonin,Diurazida
,Diuroral,Fluitran,Gangesol,Intromene,Isestran,Schebit,T0114,1500590,Prestw-825,Trichlormethiazide,TRICHLORMETHIAZIDE}

> <pdid>
PD002106

> <targets>
{}

> <classes>
{antihypertensive,diuretic}

> <pubchem_cids>
{5560}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 26 28  0  0  0  0            999 V2000
    2.5490  -12.2198    0.0000 C   0  0
    1.7972  -10.9218    0.0000 O   0  0
    2.5450   -9.6205    0.0000 C   0  0
    4.0450   -9.6205    0.0000 C   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0452   -7.0225    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 S   0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 F   0  0
   -3.8964   -0.7545    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.7951   -8.3214    0.0000 C   0  0
    0.2943   -8.3245    0.0000 O   0  0
   -0.4539   -9.6246    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 16 21  1  0
 21 22  2  0
 22 13  1  0
 22 23  1  0
 23 11  2  0
  7 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23391

> <plate>
PLATE 001

> <well>
A8

> <supplier_cmpd_name>
Pantoprazole Sodium Hydrate

> <ctcr_id>
6491

> <supplier_cmpd_id>
.

> <smiles>
COc1ccnc(C[S](=O)c2[nH]c3ccc(OC(F)F)cc3n2)c1OC

> <pd_targets>
{ATP4A,ATP4B,KDM4E,ALDH1A1,ALOX15,LMNA,FASN,HPGD,CYP3A4,MAPT,DDAH1,ABCB1,ABCG2,SLC47A1,IDO2,SLC22A2,SLC47A2}

> <pathway_gtopdb>
{Transporter,"Epigenetic regulator",Enzyme,"Other nuclear protein","Other cytosolic protein","Primary active transporter",Eraser,Oxidoreductase,Transferase,Protease,"Cytochrome P450",Hydrolase,"Electr
ochemical transporter","P-type ATPase","Lysine demethylase","Cysteine protease","Cytochrome P450 family 3","ATP-binding cassette","SLC superfamily of solute carriers","Hydrogen potassium ATPase","Jumo
nji domain-containing","Cysteine protease CA clan","Cytochrome P450 family 3A","ABCB subfamily","ABCG subfamily","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic c
ation and anion transporters","Cysteine protease C1A family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","Eicosanoid turnover","2.3.1.-  Acyltransferases","Cytochrome P450","L-Arginine turnover","ATP-binding cassette transporter family","SLC superfamily
 of solute carriers","1.13.11.- Dioxygenases","P-type ATPases","1.14.11.- Histone demethylases",Lipoxygenases,"Prostaglandin synthases","CYP3 family","Dimethylarginine dimethylaminohydrolases","ABCB s
ubfamily","ABCG subfamily","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","P2C P-type ATPases","Organic cation transporters (OCT)"
,H<sup>+</sup>/K<sup>+</sup>-ATPases}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","Transport of small molecules","Biological oxidations","Metabolism of lipids",Mitotic,"Transmission across Chemical Synapses","Metabolism of nitric oxide: NO
S3 activation and regulation","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Metabolism of amino acids and derivatives","Ion channel transport","Phase I - Functionalizatio
n of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Metabolism of steroids","Neurotransmitter receptors and postsynaptic signal transmission","eNOS activation","Abac
avir transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","Tryptophan catabolism","Ion transport by P-type ATPases","Ethanol oxidation","Biosynthesis o
f DPA-derived SPMs","Mitotic Metaphase and Anaphase","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events"
,"Organic cation/anion/zwitterion transport","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","Activation of gene expression by SREBF (SREBP)","Biosynthesis of D-series resolvins","Biosynthesis of mar
esins","Post NMDA receptor activation events","Organic cation transport","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs
","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{pantoprazole,102625-70-7,102625707,Protonix,Pantozol,Pantoprazol,Pantoprazolum,BY-1023,BY1023,Pantoloc,SK&F-96022,SK&F96022,"BY 1023","SK&F 96022","Protonix I.V.",(R)-Pantoprazole,(R)Pantoprazole,"Pa
ntozol Control",SK-96022,SK96022,CHEMBL1502,CHEBI:7915,"Pantoprazole sodium hydrate",NCGC00095,1505818,PANTOPRAZOLE}

> <pdid>
PD000711

> <targets>
{}

> <classes>
{"proton pump inhibitor","gastric acid release inhibitor",antiulcer}

> <pubchem_cids>
{4679}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 58 63  0  0  1  0            999 V2000
    2.2495    2.6548    0.0000 C   0  0
    3.6576    2.1380    0.0000 C   0  0
    4.8089    3.0995    0.0000 O   0  0
    3.9139    0.6592    0.0000 O   0  0
    2.7600   -0.3100    0.0000 C   0  0  1  0  0  0
    3.4900    0.9500    0.0000 C   0  0
    4.7600    0.2300    0.0000 O   0  0
    4.0400   -1.0400    0.0000 C   0  0  2  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  2  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    1.4900   -1.0400    0.0000 C   0  0  2  0  0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  1  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -6.2103   -1.0379    0.0000 C   0  0
   -6.2111   -2.0379    0.0000 O   0  0
   -7.5097   -0.2869    0.0000 C   0  0  2  0  0  0
   -7.5086    1.2131    0.0000 O   0  0
   -8.8103   -1.0359    0.0000 C   0  0  1  0  0  0
   -8.8084   -2.5367    0.0000 N   0  0
   -7.5082   -3.2863    0.0000 C   0  0
   -6.6426   -2.7855    0.0000 O   0  0
   -7.5062   -4.7871    0.0000 O   0  0
   -6.2060   -5.5367    0.0000 C   0  0
   -6.2047   -6.5367    0.0000 C   0  0
   -4.9077   -4.7855    0.0000 C   0  0
   -4.9061   -6.2852    0.0000 C   0  0
  -10.1097   -0.2849    0.0000 C   0  0
  -11.4107   -1.0316    0.0000 C   0  0
  -12.7078   -0.2783    0.0000 C   0  0
  -12.7041    1.2217    0.0000 C   0  0
  -11.4032    1.9684    0.0000 C   0  0
  -10.1060    1.2152    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
   -1.0600   -1.4900    0.0000 O   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  5  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 14 12  1  6
 14  5  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 15 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  1
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
 34 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 28 49  1  0
 49 50  2  3
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 12  1  0
 53 54  2  0
 50 55  1  0
 55 25  1  0
 55 56  1  0
 55 57  1  0
 49 58  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23392

> <plate>
PLATE 001

> <well>
A9

> <supplier_cmpd_name>
Docetaxel trihydrate

> <ctcr_id>
4639

> <supplier_cmpd_id>
.

> <smiles>
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

> <pd_targets>
{MAPK1,FFP,FTL,KMT2A,MEN1,RORC,KIF11,EGFR,GHRHR,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,NOD2,ABCB11,CYP3A4,TACR2,TUBB5,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator","Transcription factor","Other cytosolic protein","Membrane receptor","Structural protein",Transporter,Kinase,Transferase,Reader,"Nuclear receptor"
,"Family B G protein-coupled receptor","Primary active transporter","Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Peptide
 receptor (family B GPCR)","ATP-binding cassette","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","TK protein k
inase group","Glucagon-like receptor","ABCB subfamily","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase MAPK fam
ily","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein kinase EGFR family","Growth hormone-releasing hormone receptor","Cytochrome P450 3A4","Neurokinin receptor","Nuclear horm
one receptor subfamily 1 group I member 2","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors",Kinesins,"Catalytic receptors","G protein-coupled receptors","ATP-binding cassette transporte
r family","Cytochrome P450",Tubulins,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","Receptor kinases","Glucagon receptor family","Pattern recognition receptors","
ABCB subfamily","CYP3 family","Tachykinin receptors","1I. Vitamin D receptor-like receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","NOD-like receptor family","ERK sub
family","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Vesicle-mediated transport","Gene expression (Transcription)","Signal Transduction",Disease,Metabolism,"Cell Cycle","Metabolism of proteins","Innate Immune System","Membrane Traffick
ing","RNA Polymerase II Transcription","Signaling by GPCR","Infectious disease","Metabolism of lipids",Mitotic,"Post-translational protein modification","Toll-like Receptor Cascades","trans-Golgi Netw
ork Vesicle Budding","Generic Transcription Pathway","Intra-Golgi and retrograde Golgi-to-ER traffic","GPCR downstream signalling","Leishmania infection","Metabolism of steroids","Biosynthesis of spec
ialized proresolving mediators (SPMs)","GPCR ligand binding","Mitotic G2-G2/M phases",SUMOylation,"Toll Like Receptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","Transcriptional regulatio
n by RUNX3","Golgi-to-ER retrograde transport","G alpha (q) signalling events","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Class 
A/1 (Rhodopsin-like receptors)","G2/M Transition","SUMO E3 ligases SUMOylate target proteins","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","COPI-de
pendent Golgi-to-ER retrograde traffic","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts"
,"Biosynthesis of maresins","Peptide ligand-binding receptors","Centrosome maturation","SUMOylation of intracellular receptors","MAP kinase activation","EGFR Transactivation by Gastrin","ADORA2B media
ted anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","Tachykinin receptors bind tachykinins","Loss of 
proteins required for interphase microtubule organization from the centrosome","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mi
totic centrosomes","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BCL2,MAP2,MAP4,MAPT,NR1I2,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{RESTW118,"Docetaxel (Taxotere)",SMR000059010,Docetaxel/,MLS000069455,MLS000759480,MLS001423968,SCHEMBL5553029,CHEMBL1510899,MolPort-006-823-826,MolPort006823826,HMS2051A12,HMS3715N15,"Docetaxel(Taxot
ere)/UK 427857",ABP000473,ABP000761,BBL102375,STL556176,ZINC95546207,A,T0186,T1034,SAM001246689,Prestw-1180,"Docetaxel trihydrate",Docetaxel,CPD000059010}

> <pdid>
PD003020

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11970251}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 30 33  0  0  0  0            999 V2000
   15.6025    1.5193    0.0000 C   0  0
   14.3024    0.7712    0.0000 O   0  0
   14.2993   -0.7296    0.0000 C   0  0
   15.5984   -1.4796    0.0000 C   0  0
   15.5984   -2.9796    0.0000 C   0  0
   14.2994   -3.7296    0.0000 C   0  0
   13.0004   -2.9797    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 18  1  0
 30 22  2  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23393

> <plate>
PLATE 001

> <well>
A10

> <supplier_cmpd_name>
Carvedilol phosphate

> <ctcr_id>
1656

> <supplier_cmpd_id>
.

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

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

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

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

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

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

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

> <pdid>
PD001210

> <targets>
{Adrenergic Receptor,Autophagy}

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

> <pubchem_cids>
{2585}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

  8  4  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 O   0  5
    1.3000    0.7500    0.0000 V   0  0
    2.5993    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  5
    1.3000   -0.7500    0.0000 O   0  5
   10.1000    0.7500    0.0000 Na  0  3
    7.6000    0.7500    0.0000 Na  0  3
    5.1000    0.7500    0.0000 Na  0  3
  1  2  1  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
M  CHG  6   1  -1   4  -1   5  -1   6   1   7   1   8   1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23394

> <plate>
PLATE 001

> <well>
A11

> <supplier_cmpd_name>
Sodium orthovanadate

> <ctcr_id>
11699

> <supplier_cmpd_id>
.

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

> <pd_targets>
{CASR,PDCD6,CHP1,CALM1,CADPS,CALM2,CALM3,CADPS2,NRXN1}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Family C G protein-coupled receptor","Ion receptor (family C GPCR)","Calcium sensing receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Calcium-sensing receptor"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Neuronal System","Signaling by GPCR","Metabolism of carbohydrates","Transmission across Chemical Synapses","Protein-protein interactions at synapses","GPCR downstrea
m signalling","Glycosaminoglycan metabolism","Neurotransmitter receptors and postsynaptic signal transmission","Neurexins and neuroligins","G alpha (i) signalling events","Hyaluronan metabolism","Acti
vation of NMDA receptors and postsynaptic events","Hyaluronan uptake and degradation","Post NMDA receptor activation events","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS sig
naling","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sodium orthovanadate",13721-39-6,13721396,"Trisodium vanadate","Sodium pervanadate","Sodium o-vanadate","Sodium ovanadate","Sodium vanadate (ortho)","Trisodium tetraoxovanadate","Sodium vanadium oxi
de (Na3VO4)","Sodium tetraoxovanadate(3-)","Sodium tetraoxovanadate(3)","Vanadic acid",tri,T2189}

> <pdid>
PD040245

> <targets>
{(Na,K)-ATPase,Phosphatase}

> <classes>
{Membrane transporter/Ion channel,Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{61671}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 58 63  0  0  1  0            999 V2000
    2.2495    2.6548    0.0000 C   0  0
    3.6576    2.1380    0.0000 C   0  0
    4.8089    3.0995    0.0000 O   0  0
    3.9139    0.6592    0.0000 O   0  0
    2.7600   -0.3100    0.0000 C   0  0  1  0  0  0
    3.4900    0.9500    0.0000 C   0  0
    4.7600    0.2300    0.0000 O   0  0
    4.0400   -1.0400    0.0000 C   0  0  2  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  2  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    1.4900   -1.0400    0.0000 C   0  0  2  0  0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  1  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -6.2103   -1.0379    0.0000 C   0  0
   -6.2111   -2.0379    0.0000 O   0  0
   -7.5097   -0.2869    0.0000 C   0  0  2  0  0  0
   -7.5086    1.2131    0.0000 O   0  0
   -8.8103   -1.0359    0.0000 C   0  0  1  0  0  0
   -8.8084   -2.5367    0.0000 N   0  0
   -7.5082   -3.2863    0.0000 C   0  0
   -6.6426   -2.7855    0.0000 O   0  0
   -7.5062   -4.7871    0.0000 O   0  0
   -6.2060   -5.5367    0.0000 C   0  0
   -6.2047   -6.5367    0.0000 C   0  0
   -4.9077   -4.7855    0.0000 C   0  0
   -4.9061   -6.2852    0.0000 C   0  0
  -10.1097   -0.2849    0.0000 C   0  0
  -11.4107   -1.0316    0.0000 C   0  0
  -12.7078   -0.2783    0.0000 C   0  0
  -12.7041    1.2217    0.0000 C   0  0
  -11.4032    1.9684    0.0000 C   0  0
  -10.1060    1.2152    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
   -1.0600   -1.4900    0.0000 O   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  5  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 14 12  1  6
 14  5  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 15 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  1
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
 34 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 28 49  1  0
 49 50  2  3
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 12  1  0
 53 54  2  0
 50 55  1  0
 55 25  1  0
 55 56  1  0
 55 57  1  0
 49 58  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23395

> <plate>
PLATE 001

> <well>
B2

> <supplier_cmpd_name>
Docetaxel

> <ctcr_id>
4639

> <supplier_cmpd_id>
.

> <smiles>
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

> <pd_targets>
{MAPK1,FFP,FTL,KMT2A,MEN1,RORC,KIF11,EGFR,GHRHR,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,NOD2,ABCB11,CYP3A4,TACR2,TUBB5,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator","Transcription factor","Other cytosolic protein","Membrane receptor","Structural protein",Transporter,Kinase,Transferase,Reader,"Nuclear receptor"
,"Family B G protein-coupled receptor","Primary active transporter","Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Peptide
 receptor (family B GPCR)","ATP-binding cassette","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","TK protein k
inase group","Glucagon-like receptor","ABCB subfamily","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase MAPK fam
ily","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein kinase EGFR family","Growth hormone-releasing hormone receptor","Cytochrome P450 3A4","Neurokinin receptor","Nuclear horm
one receptor subfamily 1 group I member 2","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors",Kinesins,"Catalytic receptors","G protein-coupled receptors","ATP-binding cassette transporte
r family","Cytochrome P450",Tubulins,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","Receptor kinases","Glucagon receptor family","Pattern recognition receptors","
ABCB subfamily","CYP3 family","Tachykinin receptors","1I. Vitamin D receptor-like receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","NOD-like receptor family","ERK sub
family","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Vesicle-mediated transport","Gene expression (Transcription)","Signal Transduction",Disease,Metabolism,"Cell Cycle","Metabolism of proteins","Innate Immune System","Membrane Traffick
ing","RNA Polymerase II Transcription","Signaling by GPCR","Infectious disease","Metabolism of lipids",Mitotic,"Post-translational protein modification","Toll-like Receptor Cascades","trans-Golgi Netw
ork Vesicle Budding","Generic Transcription Pathway","Intra-Golgi and retrograde Golgi-to-ER traffic","GPCR downstream signalling","Leishmania infection","Metabolism of steroids","Biosynthesis of spec
ialized proresolving mediators (SPMs)","GPCR ligand binding","Mitotic G2-G2/M phases",SUMOylation,"Toll Like Receptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","Transcriptional regulatio
n by RUNX3","Golgi-to-ER retrograde transport","G alpha (q) signalling events","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Class 
A/1 (Rhodopsin-like receptors)","G2/M Transition","SUMO E3 ligases SUMOylate target proteins","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","COPI-de
pendent Golgi-to-ER retrograde traffic","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts"
,"Biosynthesis of maresins","Peptide ligand-binding receptors","Centrosome maturation","SUMOylation of intracellular receptors","MAP kinase activation","EGFR Transactivation by Gastrin","ADORA2B media
ted anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","Tachykinin receptors bind tachykinins","Loss of 
proteins required for interphase microtubule organization from the centrosome","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mi
totic centrosomes","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BCL2,MAP2,MAP4,MAPT,NR1I2,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{RESTW118,"Docetaxel (Taxotere)",SMR000059010,Docetaxel/,MLS000069455,MLS000759480,MLS001423968,SCHEMBL5553029,CHEMBL1510899,MolPort-006-823-826,MolPort006823826,HMS2051A12,HMS3715N15,"Docetaxel(Taxot
ere)/UK 427857",ABP000473,ABP000761,BBL102375,STL556176,ZINC95546207,A,T0186,T1034,SAM001246689,Prestw-1180,"Docetaxel trihydrate",Docetaxel,CPD000059010}

> <pdid>
PD003020

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11970251}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 19 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    5.0994   -0.7505    0.0000 N   0  0
    6.3987   -0.0009    0.0000 C   0  0
    7.6987   -0.7509    0.0000 C   0  0
    8.9980   -0.0013    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  3
  9  2  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23396

> <plate>
PLATE 001

> <well>
B3

> <supplier_cmpd_name>
Ciclopirox ethanolamine

> <ctcr_id>
1754

> <supplier_cmpd_id>
.

> <smiles>
CC1=CC(=O)N(O)C(=C1)C2CCCCC2.NCCO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"membrane integrity inhibitor"}

> <synonyms>
{"Ciclopirox olamine",41621-49-2,41621492,"Ciclopirox ethanolamine",ciclopiroxolamine,Batrafen,Ciclopiroxolamin,"Ciclopirox (olamine)",Mycoster,"HOE 296",UNII-50MD4SB4AP,UNII50MD4SB4AP,"Ciclopirox eth
anolamine salt (1:1)",MFCD00078997,50MD4SB4AP,"Ciclobirox O",T1114,C0415,1500189,Prestw-541,ciclopirox,"CICLOPIROX OLAMINE"}

> <pdid>
PD003531

> <targets>
{Bacterial,Ferroptosis,Fungal}

> <classes>
{antifungal,Anti-infection,Apoptosis}

> <pubchem_cids>
{38911}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 13 14  0  0  1  0            999 V2000
    4.8823   -2.5608    0.0000 C   0  0
    6.3509   -2.2515    0.0000 C   0  0
    7.8187   -1.9424    0.0000 C   0  0
    3.8794   -1.4442    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
  1  2  1  0
  2  3  3  0
  1  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 13  5  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23397

> <plate>
PLATE 001

> <well>
B4

> <supplier_cmpd_name>
Rasagiline

> <ctcr_id>
11004

> <supplier_cmpd_id>
.

> <smiles>
C(C#C)N[C@H]1c2ccccc2CC1

> <pd_targets>
{MAOB,MAOA,ACHE,BCHE,BCL2}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,"Ion channel",Hydrolase,"Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{Enzymes,"Catecholamine turnover","Other protein targets","Acetylcholine turnover","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Amine Oxidase reactions","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Immune System","Met
abolism of lipids","Innate Immune System","Phospholipid metabolism","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Glycerophospholipid biosynthesis",In
flammasomes,"Synthesis of PC","The NLRP1 inflammasome"}

> <broad_targets>
{BCL2,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{rasagiline,136236-51-6,136236516,"(R)-N-(2-Propynyl)-2,3-dihydroinden-1-amine","(R)N(2Propynyl)2,3dihydroinden1amine",Azilect,(R)-N-2-Propynyl-1-indanamine,(R)N2Propynyl1indanamine,"(R)-2,3-dihydro-N
-2-propynyl-1H-inden-1-amine","(R)2,3dihydroN2propynyl1Hinden1amine","1-Indanamine, N-2-propynyl-, (R)-","1Indanamine, N2propynyl, (R)",(1R)-N-(prop-2-yn-1-yl)-2,(1R)N(prop2yn1yl)2,3-dihydro-1H-inden-
1-amine,3dihydro1Hinden1amine,T1119,Rasagiline}

> <pdid>
PD006676

> <targets>
{Bcl-2,MAO-A,MAO-B}

> <classes>
{Apoptosis,Metabolism}

> <pubchem_cids>
{3052776}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 37 36  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.4992    0.7496    0.0000 O   0  0
   10.2999    2.2500    0.0000 C   0  0
   10.2999    0.7500    0.0000 C   0  0
    9.0007    0.0004    0.0000 O   0  0
   11.5999    0.0000    0.0000 N   0  0
   12.8999    0.7500    0.0000 C   0  0
   14.1999    0.0000    0.0000 C   0  0
   14.1999   -1.5000    0.0000 O   0  0
   15.4992    0.7496    0.0000 O   0  0
   33.5886    0.3829    0.0000 N   0  0
   32.2883   -0.3648    0.0000 C   0  0
   32.2861   -1.8648    0.0000 N   0  0
   30.9901    0.3883    0.0000 C   0  0
   30.9900    1.8883    0.0000 C   0  0
   29.6910    2.6383    0.0000 C   0  0
   28.3920    1.8883    0.0000 C   0  0
   27.0907    2.6360    0.0000 N   0  0
   25.7920    1.8837    0.0000 N   0  0
   24.4907    2.6315    0.0000 N   0  0
   23.1920    1.8792    0.0000 C   0  0
   21.8903    2.6246    0.0000 C   0  0
   20.5939    1.8701    0.0000 C   0  0
   20.5991    0.3701    0.0000 C   0  0
   21.9007   -0.3754    0.0000 C   0  0
   23.1971    0.3791    0.0000 C   0  0
   19.3035   -0.3875    0.0000 C   0  0
   18.0006    0.3558    0.0000 N   0  0
   19.3108   -1.8874    0.0000 N   0  0
   28.3920    0.3883    0.0000 C   0  0
   29.6910   -0.3617    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 30 33  1  0
 33 34  1  0
 33 35  2  0
 23 36  1  0
 36 37  2  0
 37 20  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23398

> <plate>
PLATE 001

> <well>
B5

> <supplier_cmpd_name>
Diminazene Aceturate

> <ctcr_id>
4337

> <supplier_cmpd_id>
.

> <smiles>
CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Diminazene aceturate","Diminazene diaceturate",908-54-3,908543,berenil,"Diminazene (aceturate)",Beronal,Bevenil,"Diminazene (diaceturate)",UNII-JI8SAD85NO,UNIIJI8SAD85NO,CHEBI:82615,JI8SAD85NO,"Di-(
4-amidinophenyl)-triazine-(N-1,3)-diaceturate","Di(4amidinophenyl)triazine(N1,3)diaceturate",C22H29N9O6,CHEMBL380216,D,T1145,S4104,"Diminazene Aceturate"}

> <pdid>

> <targets>
{Others,Angiotensin-converting Enzyme (ACE),Parasite}

> <classes>
{Others,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5284544}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 21 23  0  0  0  0            999 V2000
   -2.1567   -3.7722    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2237   -5.5078    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    4.4142   -3.9859    0.0000 C   0  0
    5.4142   -5.1039    0.0000 C   0  0
    6.8824   -4.7969    0.0000 C   0  0
    7.8825   -5.9148    0.0000 Cl  0  0
    7.3506   -3.3718    0.0000 C   0  0
    6.3506   -2.2538    0.0000 C   0  0
    6.8188   -0.8287    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  4  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23399

> <plate>
PLATE 001

> <well>
B6

> <supplier_cmpd_name>
Lonidamine

> <ctcr_id>
2802

> <supplier_cmpd_id>
.

> <smiles>
OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c3ccccc13

> <pd_targets>
{TSHR,PMP22,AMPC,CYP3A4,CYP2C9,HIF1A,NPSR1,RORC,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Transcription factor","Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450","Nuclear receptor","Peptide receptor (family A GPCR)","Cytoc
hrome P450 family 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Short
 peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 1A","Cytochrome P450 3A4","Cytochrome P450 2C9","Neuropeptide receptor","Nuclear hormone recep
tor subfamily 1 group F member 3","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Nuclear hormone receptors","Glycoprotein hormone receptors","CYP3 family","CYP2 family: drug metabolising subset","Neuropeptide S re
ceptor","1F. Retinoic acid-related orphans","CYP1 family"}

> <pathway_reactome>
{Disease,"Developmental Biology",Metabolism,"Cellular responses to external stimuli","Gene expression (Transcription)","Infectious disease","Nervous system development","Metabolism of lipids","Biologi
cal oxidations","Cellular responses to stress","RNA Polymerase II Transcription","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized pr
oresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","Generic Transcription Pathway","Leishmania parasite growth and survival","Biosynthesis of DHA-de
rived SPMs","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Anti-inflammatory response 
favouring Leishmania parasite infection","Biosynthesis of maresins",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","ADORA2B mediated anti-inflammatory cytokines production","Biosynth
esis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{GCK}

> <broad_moa>
{"glucokinase inhibitor"}

> <synonyms>
{50264-69-2,50264692,lonidamine,"1-(2,4-Dichlorobenzyl)-1H-indazole-3-carboxylic acid","1(2,4Dichlorobenzyl)1Hindazole3carboxylic acid","Diclondazolic acid",Doridamina,DICA,Lonidamina,Lonidaminum,Loni
damin,"AF 1890","1-((2,4-dichlorophenyl)methyl)-1H-indazole-3-carboxylic acid","1((2,4dichlorophenyl)methyl)1Hindazole3carboxylic acid",1-(2,1(2,4-Dichlorbenzyl)-i,4Dichlorbenzyl)i,T0239,S2610,Lonidam
ine}

> <pdid>
PD002694

> <targets>
{Others,Apoptosis,Hexokinase,Mitochondrial Metabolism}

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

> <pubchem_cids>
{39562}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 25 27  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7272    1.1906    0.0000 O   0  0
   -3.6011   -0.0286    0.0000 C   0  0
   -5.0909   -0.1941    0.0000 C   0  0
   -5.9828    1.0130    0.0000 C   0  0
   -5.3833    2.3879    0.0000 C   0  0
   -7.4734    0.8451    0.0000 O   0  0
   -5.6922   -1.5683    0.0000 C   0  0
   -7.1830   -1.7347    0.0000 O   0  0
   -4.8028   -2.7762    0.0000 C   0  0
   -5.4041   -4.1504    0.0000 C   0  0
   -3.3121   -2.6098    0.0000 C   0  0
   -2.4224   -3.8175    0.0000 O   0  0
   -2.7117   -1.2364    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.4428   -2.2431    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 11 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 21 10  1  0
 21 22  1  0
 22  8  1  0
 22 23  1  0
 22 24  1  0
 24  4  1  0
 24 25  2  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23400

> <plate>
PLATE 001

> <well>
B7

> <supplier_cmpd_name>
Usnic Acid

> <ctcr_id>
2010

> <supplier_cmpd_id>
.

> <smiles>
CC(=O)C1C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=O

> <pd_targets>
{KMT2A,MEN1,ALDH1A1,CYP3A4,GAA}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Oxidoreductase,"Cytochrome P450",Protease,Bromodomain,"Cytochrome P450 family 3","Cysteine protease","Cytochrome P450 family 3A","Cysteine protease CA clan","Cyto
chrome P450 3A4","Cysteine protease C1A family",Hydrolase}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family","3.2.1.- Glycosidases"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Metabolism of lipids","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Ethanol oxidation","Biosynthesis of D
HA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs",Disease,"Diseases of metabolism","Diseases of carbohydrate metabolism","Glycogen storage diseases","Glycogen storage dis
ease type II (GAA)"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"usnic acid",125-46-2,125462,Usno,usnic-acid,usnicacid,"Usninic acid","1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-","1,3(2H,9bH)Dibenzofurandione, 2,6diacetyl7,9dihydroxy
8,9bdimethyl",7-Hydroxy-(S)-usnate,7Hydroxy(S)usnate,"L-Usnic acid","LUsnic acid","NSC 8517",NSC5890,2,6-Diacetyl-7,6Diacetyl7,9-dihydroxy-8,9dihydroxy8,9b-dimethyl-1,9bdimethyl1,3(2H,9bH)-dibenzo,9bH
)dibenzo,T2731,"NSC 5890","Usnic Acid","D-Usnic acid"}

> <pdid>
PD002025

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5646}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 11 10  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  5
    7.7992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  2   2   1  10  -1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23401

> <plate>
PLATE 001

> <well>
B8

> <supplier_cmpd_name>
DL-Carnitine

> <ctcr_id>
5814

> <supplier_cmpd_id>
.

> <smiles>
C[N+](C)(C)C[C@H](O)CC([O-])=O

> <pd_targets>
{AMPC,CPT2,CPT1B,CPT1A,SLC22A16}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Transferase,Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic zwitterions/cation transporters (OCTN)"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Carnitine metabolism","Transport of small molecules","SLC-mediated transmembrane transport","Transport of bile salts and organic acids","met
al ions and amine compounds","Organic cation/anion/zwitterion transport","Organic cation transport"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{L-carnitine,Lcarnitine,Levocarnitine,541-15-1,541151,"vitamin BT",(R)-Carnitine,(R)Carnitine,Carnitor,(-)-Carnitine,()Carnitine,(-)-L-Carnitine,()LCarnitine,Karnitin,L-(-)-Carnitine,L()Carnitine,Carn
itene,bicarnesine,Levocarnitina,Metina,"L-Carnitine inner salt","LCarnitine inner salt",Levocarnitinum,Carniking,Carnilean,Carnitine,T0846,T0743,1505437,L(-)-Carnitine,DL-Carnitine,LEVOCARNITINE}

> <pdid>
PD000410

> <targets>
{}

> <classes>
{"cofactor for fatty acid metabolism","replenisher in arterial disease"}

> <pubchem_cids>
{10917}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 15 13  0  0  1  0            999 V2000
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0  1  0  0  0
    2.6000    0.0000    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    1.7500    0.0000 C   0  0
    3.8969    2.2508    0.0000 C   0  0
    2.5961    2.9994    0.0000 N   0  3
    2.5930    4.4994    0.0000 C   0  0
    1.2956    3.7469    0.0000 C   0  0
    1.7309    2.4979    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
    6.5000    2.2500    0.0000 O   0  0
   10.2999    2.2501    0.0000 Cl  0  5
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  1 12  1  0
 12 13  2  0
 12 14  1  0
M  CHG  2   8   1  15  -1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23402

> <plate>
PLATE 001

> <well>
B9

> <supplier_cmpd_name>
O-Acetyl-L-carnitine hydrochloride

> <ctcr_id>
11081

> <supplier_cmpd_id>
.

> <smiles>
C([C@@H](OC(=O)C)C[N+](C)(C)C)C(=O)O.[Cl-]

> <pd_targets>
{AMPC,LMNA,SMN1}

> <pathway_gtopdb>
{Enzyme,Hydrolase,"Other nuclear protein","Epigenetic regulator",Reader,"Methyl-lysine/arginine binding protein","Tudor domain"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle","Metabolism of RNA",Mitotic,"Metabolism of non-coding RNA","M Phase","snRNP Assembly","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation o
f Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{08050,"Acetyl-L-carnitine hydrochloride","AcetylLcarnitine hydrochloride",5080-50-2,5080502,"O-Acetyl-L-carnitine HCl","OAcetylLcarnitine HCl",ALCAR,"o-Acetyl-L-carnitine hydrochloride","oAcetylLcarn
itine hydrochloride",UNII-NDW10MX58T,UNIINDW10MX58T,"Acetylcarnitine hydrochloride",NDW10MX58T,"(R)-3-Acetoxy-4-(trimethylammonio)butyrate hydrochloride","(R)3Acetoxy4(trimethylammonio)butyrate hydroc
hloride",Branigan,Nic,T2563,"O-Acetyl-L-carnitine hydrochloride"}

> <pdid>
PD007238

> <targets>
{CRAT}

> <classes>
{Others}

> <pubchem_cids>
{2733928}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 14 16  0  0  0  0            999 V2000
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    2.0412   -5.8141    0.0000 C   0  0
    3.2310   -6.7275    0.0000 S   0  0
    4.4674   -5.8782    0.0000 C   0  0
    4.0417   -4.4399    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9  1  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23403

> <plate>
PLATE 001

> <well>
B10

> <supplier_cmpd_name>
Thiabendazole

> <ctcr_id>
3544

> <supplier_cmpd_id>
.

> <smiles>
[nH]1c2ccccc2nc1c3cscn3

> <pd_targets>
{RAB9A,TSHR,FKBP1A,SMN1,CYP2D6,MAP,POL,HIF1A,METAP1,TP53,CYP2C19,NPC1,PYK,CYP3A4,CYP1A2,KDM4E,METAP2,FRDA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Transcription factor",Transporter,Hydrolase,"Family A G protein-coupled receptor",Isomerase,Reader,"Cytochrome P450",Protease,Transferase,Eraser,"Pe
ptide receptor (family A GPCR)","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2","Metallo protease","Cytochrome P450 family 3","Cytochrome P450 family 1","Lysine demethylase","Small
 molecule receptor (family A GPCR)","Glycohormone receptor","Tudor domain","Cytochrome P450 family 2D","Metallo protease MG clan","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P4
50 family 1A","Jumonji domain-containing","Monoamine-derivative receptor (family A GPCR)","Cytochrome P450 2D6","Metallo protease M24A subfamily","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochro
me P450 1A1","Melatonin receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Peptidyl-prolyl cis/trans isomerases","Cytochrome P450","Peptidases and proteinases","SLC superfamily of solute carriers","Chromatin modi
fying enzymes","Catalytic receptors","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","MG: Metallo (M) Peptidases","SLC65 NPC-type cholesterol transporters","CYP3 family","CYP1
 family","1.14.11.- Histone demethylases","Receptor guanylyl cyclase (RGC) family","M24: Methionyl aminopeptidase","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Metabolism of RNA",Metabolism,"Cellular responses to external stimuli","Cell Cycle","Transport of small molecules","Signaling by Rho GTPases","Infectious disease","Dise
ases of signal transduction by growth factor receptors and second messengers","Metabolism of non-coding RNA","Biological oxidations","Cellular responses to stress","Signaling by GPCR","Cell Cycle Chec
kpoints","Plasma lipoprotein assembly",remodeling,"and clearance","Metabolism of lipids","Rho GTPase cycle","Leishmania infection","Signaling by TGF-beta Receptor Complex in Cancer","snRNP Assembly","
Phase I - Functionalization of compounds","Cellular response to hypoxia","GPCR downstream signalling","G1/S DNA Damage Checkpoints","Plasma lipoprotein clearance","Biosynthesis of specialized proresol
ving mediators (SPMs)","RHOBTB GTPase Cycle","Leishmania parasite growth and survival","Loss of Function of TGFBR1 in Cancer","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline h
ydroxylation of Hypoxia-inducible Factor Alpha","G alpha (i) signalling events","p53-Dependent G1/S DNA damage checkpoint","LDL clearance","Biosynthesis of DHA-derived SPMs","RHOBTB3 ATPase cycle","An
ti-inflammatory response favouring Leishmania parasite infection","TGFBR1 LBD Mutants in Cancer",Xenobiotics,"Visual phototransduction","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins
","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","The phototransduction cascade","Stabilization of p53","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydr
oxylated or N-dealkylated by CYP1A2",Inactivation,"recovery and regulation of the phototransduction cascade","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"angiogenesis inhibitor"}

> <synonyms>
{thiabendazole,148-79-8,148798,Tiabendazole,Mintezol,2-(4-Thiazolyl)benzimidazole,2(4Thiazolyl)benzimidazole,Equizole,Thiabendazol,Tiabendazol,Mintesol,Omnizole,Thibenzole,Bovizole,Minzolum,Thiabenzol
e,Thibenzol,Thiaben,Testo,Lombristop,Bioguard,Eprofil,Mertect,Mycozol,Nemapan,T0938,SAM002564239,1500570,Prestw-524,Thiabendazole,CPD000058170,THIABENDAZOLE}

> <pdid>
PD001733

> <targets>
{Mitochondrial Metabolism,Parasite}

> <classes>
{anthelmintic,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5430}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 28 29  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1886    6.0105    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.9267   -3.8029    0.0000 Cl  0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  7 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16  6  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 15 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 14 28  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23404

> <plate>
PLATE 001

> <well>
B11

> <supplier_cmpd_name>
Amlodipine

> <ctcr_id>
4538

> <supplier_cmpd_id>
.

> <smiles>
CCOC(=O)C1=C(COCCN)NC(=C(C1c2ccccc2Cl)C(=O)OC)C

> <pd_targets>
{CACNA1C,CACNA1D,CACNA1F,CACNA1S,NOS3,NOS2,FFP,NR1I2,RORC,CYP3A4,KCNK2,ABCB11,ADRA1B,ADRA1D,ADRA1A,ADRA2A,ADRA2C,HTR6,SLC6A3,ABCB1,CACNA1B,CACNB1,CACNA2D3,CA1,SMPD1,CACNA1I}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel","Voltage-gated calcium channel","Transcription factor",Transporter,"Membrane receptor",Transferase,"Nuclear receptor","Cytochrome P450","Primary activ
e transporter","Family A G protein-coupled receptor","Electrochemical transporter",Lyase,Hydrolase,"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Potassium channels","ATP-binding c
assette","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 f
amily 3A","Two-pore domain potassium channel","ABCB subfamily","Monoamine receptor","SLC06 neurotransmitter transporter family","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone
 receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Adrenergic receptor","Serotonin receptor"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","L-Arginine turnover","Voltage-gated calcium channels","Nitric oxide synthases",Receptors,Transporters,"Nuclear hormone receptors","Cytochrome P450
","ATP-binding cassette transporter family","G protein-coupled receptors","SLC superfamily of solute carriers","Carbonic anhydrases","Ceramide turnover","1I. Vitamin D receptor-like receptors","1F. Re
tinoic acid-related orphans","CYP3 family","Potassium channels","ABCB subfamily",Adrenoceptors,"5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Sphingomyelin phosphodiestera
se","Two P domain potassium channels","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Disease,"Nervous system development","Signaling by Receptor Tyrosine Kinases","Infectious disease","Axon guidance","Signaling by VEGF","Infection with My
cobacterium tuberculosis","NCAM signaling for neurite out-growth","VEGFA-VEGFR2 Pathway","Response of Mtb to phagocytosis","NCAM1 interactions","VEGFR2 mediated vascular permeability","Suppression of 
phagosomal maturation","Inhibition of nitric oxide production","Metabolism of proteins","Gene expression (Transcription)",Metabolism,"Neuronal System","Immune System","Post-translational protein modif
ication","RNA Polymerase II Transcription","Metabolism of lipids","Potassium Channels","Signaling by GPCR","Disorders of transmembrane transporters","Abacavir transport and metabolism","Transmission a
cross Chemical Synapses","Cytokine Signaling in Immune system",SUMOylation,"Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Tandem pore domain potassium cha
nnels","Metabolism of steroids","GPCR ligand binding","Leishmania infection","SLC transporter disorders","Abacavir transmembrane transport","Presynaptic depolarization and calcium channel opening","Si
gnaling by Interleukins","Sphingolipid metabolism","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","TWIK related potassium channel 
(TREK)","Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Interle
ukin-12 family signaling","Glycosphingolipid metabolism","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Synthesis of bile aci
ds and bile salts","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-12 signaling","Biosynthesis of maresin-like SPMs","Synthesis of bi
le acids and bile salts via 7alpha-hydroxycholesterol",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Gene and protein expression by JAK-STAT signaling after Interleukin-12 s
timulation"}

> <broad_targets>
{}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{RESTW121,amlodipine,88150-42-9,88150429,Norvasc,"AMLODIPINE BASE",Amlodipino,Amlodipinum,Caduet,Istin,"Amlodipine Free Base","Amlodipine besilate",Amvaz,Amlodis,CHEBI:2668,"Norvasc (TN)",Amlocard,Cor
oval,Lipinox,UK-4834011,UK4834011,Amlor,"Amlodipinum (Latin)",Amlodipin,T4284,T1385,S1905,Prestw-1219,"(S)-Amlodipine Besylate (103129-82-4(free base))",Amlodipine,Amlodipine,"Amlodipine (Norvasc)"}

> <pdid>
PD008989

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2162}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 15 15  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.1996    1.4928    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23405

> <plate>
PLATE 001

> <well>
C2

> <supplier_cmpd_name>
Ibuprofen

> <ctcr_id>
304

> <supplier_cmpd_id>
.

> <smiles>
CC(C)Cc1ccc(cc1)C(C)C(O)=O

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

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

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

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

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

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{ibuprofen,Nobgen,PediaProfen,Rufen,Nobfelon,Brufort,Inabrin,Pantrop,Rebugen,Suspren,Tabalon,(RS)-Ibuprofen,(RS)Ibuprofen,Anco,Urem,Ibu-slo,Ibuslo,Brufanic,Ibuprohm,Napacetin,Ibufen,Ibren,"4-Isobutylh
ydratropic acid","4Isobutylhydratropic acid","p-Isobutylhydratropic acid","pIsobutylhydratropic acid",Proartinal,Dibufen,T1394,T0448,SAM002264619,1500347,Ibuprofen,Dexibuprofen,CPD000058184,IBUPROFEN}

> <pdid>
PD001306

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{3672}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 15 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  3
  9  2  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23406

> <plate>
PLATE 001

> <well>
C3

> <supplier_cmpd_name>
Ciclopirox

> <ctcr_id>
4411

> <supplier_cmpd_id>
.

> <smiles>
CC1=CC(=O)N(O)C(=C1)C2CCCCC2

> <pd_targets>
{DOHH,APE1,HIF1A,PARP1,KDM4E,RORC,ALOX12,TP53,MAPK1,CYP1A2,LMNA,ATP1A1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Unclassified protein","Other nuclear protein",Transporter,Oxidoreductase,Protease,Transferase,Eraser,"Nuclear receptor",Kinase,"Cytochrome P450",
"Primary active transporter","Metallo protease","Lysine demethylase","Nuclear hormone receptor subfamily 1","Protein Kinase","Cytochrome P450 family 1","P-type ATPase","Metallo protease MH clan","Jumo
nji domain-containing","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 1A","Sodium potassium ATPase","Metallo protease M18 family","Nuclear hormone r
eceptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Poly ADP-ribose polymerases","Chromatin modifying enzymes","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","P-type ATPases",
"1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","P2C P-type ATPases","Mitogen-activated protein kinases
 (MAP kinases)",Na<sup>+</sup>/K<sup>+</sup>-ATPases,"ERK subfamily"}

> <pathway_reactome>
{"Metabolism of proteins","Cellular responses to external stimuli",Disease,"Gene expression (Transcription)",Metabolism,"Cell Cycle","Immune System","Post-translational protein modification","Cellular
 responses to stress","Infectious disease","RNA Polymerase II Transcription","Metabolism of lipids","Cell Cycle Checkpoints","Innate Immune System","Biological oxidations",Mitotic,"Gamma carboxylation
","hypusine formation and arylsulfatase activation","Cellular response to hypoxia","Influenza Infection","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","G1
/S DNA Damage Checkpoints","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","M Phase","SARS-CoV Infections","Hypusine synthesis from eIF5A-lysine","Oxygen-dependent proline hyd
roxylation of Hypoxia-inducible Factor Alpha","Influenza Viral RNA Transcription and Replication","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damag
e checkpoint","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Potential therapeutics for SARS","vRNA Synthesis","RUNX3 Regulates 
Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane",Xenobiotics,"Mitotic Anaphase","Biosynthesis of DP
An-3-derived maresins","Stabilization of p53","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 u
biquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"membrane integrity inhibitor"}

> <synonyms>
{CICLOPIROX,29342-05-0,29342050,Loprox,"HOE 296b",Ciclopiroxum,"2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-","2(1H)Pyridinone, 6cyclohexyl1hydroxy4methyl","Ciclopiroxum (INN-Latin)","Ciclopirox
um (INNLatin)",HOE-296b,HOE296b,6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one,6cyclohexyl1hydroxy4methylpyridin2(1H)one,6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one,6cyclohexyl1hydroxy4methylpyridi
n2one,6-Cyclohexyl-,6Cyclohexyl,T1482,S2528,Ciclopirox}

> <pdid>
PD003531

> <targets>
{Others,Autophagy,Bacterial,Ferroptosis,Fungal}

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

> <pubchem_cids>
{2749}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 25 26  0  0  1  0            999 V2000
   11.8542    1.3073    0.0000 C   0  0
   10.3542    1.3072    0.0000 C   0  0
    9.6042    0.0082    0.0000 C   0  0
    8.1042    0.0081    0.0000 N   0  0
    7.3541    1.3071    0.0000 C   0  0
    8.1041    2.6062    0.0000 C   0  0
    9.6041    2.6062    0.0000 C   0  0
   10.3571    3.9045    0.0000 O   0  0
   11.8571    3.9024    0.0000 C   0  0
    7.3541    3.9052    0.0000 C   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1047    0.0031    0.0000 S   0  0  2  0  0  0
    5.8570   -1.2946    0.0000 O   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  5
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
   14.3579    1.2029    0.0000 Na  0  3
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  2  1  0
  7  8  1  0
  8  9  1  0
  6 10  1  0
  5 11  1  0
 12 11  1  6
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 14  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 16  1  0
 20 23  1  0
 23 24  1  0
M  CHG  2  18  -1  25   1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23407

> <plate>
PLATE 001

> <well>
C4

> <supplier_cmpd_name>
Esomeprazole Sodium

> <ctcr_id>
11108

> <supplier_cmpd_id>
.

> <smiles>
CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=C(C=C3)OC.[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Esomeprazole Sodium",161796-78-7,161796787,C17H18N3NaO3S,3616AH,ANW-54597,ANW54597,MFCD19705377,QC-1534,QC1534,AK-54759,AK54759,W-6003,W6003,T2686L}

> <pdid>

> <targets>
{H+/K+-ATPase}

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

> <pubchem_cids>
{46853837}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 25 26  0  0  0  0            999 V2000
    5.0973   -1.8531    0.0000 Na  0  3
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  5
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 S   0  0
   -5.8570    1.2946    0.0000 O   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.1042   -0.0081    0.0000 N   0  0
   -9.6042   -0.0082    0.0000 C   0  0
  -10.3542   -1.3072    0.0000 C   0  0
  -11.8542   -1.3073    0.0000 C   0  0
   -9.6041   -2.6062    0.0000 C   0  0
  -10.3518   -3.9076    0.0000 O   0  0
   -9.5998   -5.2055    0.0000 C   0  0
   -8.1041   -2.6062    0.0000 C   0  0
   -7.3541   -3.9052    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  1  0
 11 12  2  0
 12  4  1  0
  9 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 16  1  0
 24 25  1  0
M  CHG  2   1   1   8  -1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23408

> <plate>
PLATE 001

> <well>
C5

> <supplier_cmpd_name>
Esomeprazole Magnesium

> <ctcr_id>
5525

> <supplier_cmpd_id>
.

> <smiles>
[Na+].COc1ccc2[n-]c(nc2c1)[S](=O)Cc3ncc(C)c(OC)c3C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"OMEPRAZOLE SODIUM",95510-70-6,95510706,"Esomeprazole Sodium","Omeprazole (sodium)",161796-78-7,161796787,HY-B0113A,HYB0113A,MFCD07802816,AKOS025401287,AK682477,B1388,CS-0014404,CS0014404,"H 168/68 s
odium","Omeprazole sodium (USAN)","95510-70-6 (sodium)","95510706 (sodium)",Andra,"Losec Sodium",(s)-omepra,(s)omepra,T2686,S2233,"Esomeprazole Magnesium"}

> <pdid>

> <targets>
{ATPase}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{12108541,10959536}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 28 30  0  0  0  0            999 V2000
    3.9015    0.7475    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    6.4971   -0.7566    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 N   0  0
    2.5868   -5.9998    0.0000 C   0  0
    2.5792   -7.4998    0.0000 C   0  0
    1.2764   -8.2433    0.0000 C   0  0
   -0.0189   -7.4867    0.0000 C   0  0
   -1.3217   -8.2302    0.0000 F   0  0
   -0.0113   -5.9867    0.0000 C   0  0
    1.2915   -5.2433    0.0000 C   0  0
    2.5965   -3.0004    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    8.9978   -2.2466    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  6 15  1  0
 15 16  2  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 27  1  0
 27 17  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23409

> <plate>
PLATE 001

> <well>
C6

> <supplier_cmpd_name>
Revaprazan hydrochloride

> <ctcr_id>
11109

> <supplier_cmpd_id>
.

> <smiles>
Cc1c(C)nc(Nc2ccc(F)cc2)nc1N1C(C)c2ccccc2CC1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ATP4A}

> <broad_moa>
{"potassium-competitive acid antagonist"}

> <synonyms>
{"Revaprazan Hydrochloride",178307-42-1,178307421,Revanex,"Revaprazan HCl","Revaprazan (hydrochloride)",YH1885,Revaprazan,"Revaprazan Hydrochloride (USAN)",YH-1885,"178307-42-1 (HCl)","178307421 (HCl)
","Revaprazan hydrochloride (USAN)","SB 641257A","YH 1885",T2405,"Revaprazan hydrochloride"}

> <pdid>
PD072565

> <targets>
{H+/K+-ATPase,Bacterial,COX}

> <classes>
{Membrane transporter/Ion channel,Anti-infection,Immunology/Inflammation}

> <pubchem_cids>
{204103}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 44 48  0  0  1  0            999 V2000
  -10.4511    7.0140    0.0000 N   0  0
  -10.5324    5.5162    0.0000 C   0  0
   -9.2757    4.6973    0.0000 O   0  0
  -11.8711    4.8378    0.0000 C   0  0
  -13.1290    5.6549    0.0000 C   0  0
  -14.4656    4.9741    0.0000 C   0  0
  -14.5443    3.4762    0.0000 C   0  0
  -13.2901    2.6625    0.0000 N   0  3
  -11.9498    3.3398    0.0000 C   0  0
  -13.2559    1.1621    0.0000 C   0  0  2  0  0  0
  -12.0226    0.3084    0.0000 O   0  0
  -12.4667   -1.1111    0.0000 C   0  0  2  0  0  0
  -11.5546   -2.3030    0.0000 C   0  0
  -10.0662   -2.1100    0.0000 O   0  0
   -9.1542   -3.3018    0.0000 P   0  0
   -9.7305   -4.6867    0.0000 O   0  5
  -10.6416   -3.4954    0.0000 O   0  0
   -7.6658   -3.1088    0.0000 O   0  0
   -6.7537   -4.3007    0.0000 P   0  0
   -7.3300   -5.6856    0.0000 O   0  0
   -8.2412   -4.4943    0.0000 O   0  0
   -5.2654   -4.1077    0.0000 O   0  0
   -4.3533   -5.2996    0.0000 C   0  0
   -2.8675   -5.1069    0.0000 C   0  0  1  0  0  0
   -2.1519   -3.7886    0.0000 O   0  0
   -0.6928   -4.0817    0.0000 C   0  0  2  0  0  0
   -0.4810   -5.5489    0.0000 C   0  0  2  0  0  0
    0.8417   -6.2564    0.0000 O   0  0
   -1.8348   -6.1949    0.0000 C   0  0  2  0  0  0
   -2.1080   -7.6698    0.0000 O   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  -13.9530   -1.1627    0.0000 C   0  0  1  0  0  0
  -14.7995   -2.4010    0.0000 O   0  0
  -14.4490    0.2530    0.0000 C   0  0  1  0  0  0
  -15.8858    0.6838    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
 10  8  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 24 23  1  1
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  6
 27 29  1  0
 29 24  1  0
 29 30  1  6
 26 31  1  1
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 31  1  0
 40 34  1  0
 12 41  1  0
 41 42  1  1
 41 43  1  0
 43 10  1  0
 43 44  1  1
M  CHG  2   8   1  16  -1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23410

> <plate>
PLATE 001

> <well>
C7

> <supplier_cmpd_name>
Cozymase

> <ctcr_id>
264

> <supplier_cmpd_id>
.

> <smiles>
NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O

> <pd_targets>
{CTBP1,TRPM2,P2RY11}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor","Voltage-gated ion channel","Family A G protein-coupled receptor","Transient receptor potential channel","Small molecule receptor (family A GPCR)","Nucleotide-like r
eceptor (family A GPCR)","Purine receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,"Voltage-gated ion channels","G protein-coupled receptors","Transient Receptor Potential channels","P2Y receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Transport of small molecules",Disease,"Post-translational protein modification","Ion channel transport","Infectious disease",SUMOylation,"Stimuli-sensing channels","Leishman
ia infection","SUMO E3 ligases SUMOylate target proteins","TRP channels","Leishmania parasite growth and survival","SUMOylation of transcription cofactors","Anti-inflammatory response favouring Leishm
ania parasite infection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NAD+,53-84-9,53849,"coenzyme I",beta-NAD,betaNAD,"nicotinamide adenine dinucleotide",beta-NAD+,betaNAD+,"Codehydrase I","diphosphopyridine nucleotide","beta-Diphosphopyridine nucleotide","betaDiphosp
hopyridine nucleotide","Cozymase I","Codehydrogenase I","beta-nicotinamide adenine dinucleotide","betanicotinamide adenine dinucleotide",Enz,T1609,1500419,Prestw-741,Cozymase,NADIDE,Nadide}

> <pdid>
PD001848

> <targets>
{}

> <classes>
{"alcohol and narcotic antagonist"}

> <pubchem_cids>
{5892,73415790,10897651,5288979}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 35 38  0  0  1  0            999 V2000
    7.7054  -12.2661    0.0000 C   0  0
    7.2024  -10.8529    0.0000 N   0  0
    8.1745   -9.7095    0.0000 C   0  0  2  0  0  0
    7.6712   -8.2956    0.0000 C   0  0
    6.6876   -8.1152    0.0000 O   0  0
    8.6433   -7.1521    0.0000 N   0  0
    8.1401   -5.7382    0.0000 C   0  0  2  0  0  0
    6.6632   -5.4705    0.0000 C   0  0
    6.1574   -4.0584    0.0000 O   0  0
    5.6940   -6.6129    0.0000 N   0  0
    4.2151   -6.5101    0.0000 C   0  0  1  0  0  0
    3.6205   -7.8744    0.0000 C   0  0
    4.7579   -8.8522    0.0000 C   0  0
    6.0394   -8.0726    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    1.8372   -5.2877    0.0000 S   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
    9.1109   -4.5936    0.0000 C   0  0
    8.6095   -3.1800    0.0000 C   0  0
    9.5830   -2.0388    0.0000 C   0  0
   11.0580   -2.3113    0.0000 C   0  0
   11.5595   -3.7250    0.0000 C   0  0
   10.5860   -4.8662    0.0000 C   0  0
    9.6499   -9.9800    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 11 15  1  1
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 15  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
  7 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
  3 35  1  6
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23411

> <plate>
PLATE 001

> <well>
C8

> <supplier_cmpd_name>
LCL161

> <ctcr_id>
11408

> <supplier_cmpd_id>
.

> <smiles>
CN[C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)c1nc(cs1)C(=O)c1ccc(cc1)F)C1CCCCC1)C

> <pd_targets>
{XIAP,BIRC2,BIRC3}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme}

> <pathway_chembl>
{"Other protein targets","Inhibitors of apoptosis (IAP) protein family"}

> <pathway_reactome>
{"Programmed Cell Death","Immune System",Apoptosis,"Innate Immune System","Intrinsic Pathway for Apoptosis","Toll-like Receptor Cascades","Apoptotic factor-mediated response","Toll Like Receptor 4 (TL
R4) Cascade","Cytochrome c-mediated apoptotic response","MyD88-independent TLR4 cascade","Formation of apoptosome","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of the apoptosome activity","IKK c
omplex recruitment mediated by RIP1"}

> <broad_targets>
{BIRC2,XIAP}

> <broad_moa>
{"XIAP inhibitor"}

> <synonyms>
{LCL161,1005342-46-0,1005342460,LCL-161,"LCL 161",UNII-6TNS415Y3P,UNII6TNS415Y3P,6TNS415Y3P,CHEMBL2431768,NVP-LCL161,NVPLCL161,C26H33FN4O3S,GTPL7912,SCHEMBL1275369,AOB4073,EX-A533,EXA533,2508AH,BDBM50
441356,MFCD23160049,NSC772868,s7009,ZINC95929260,CCG-269696,CCG269696,CS-1630,CS1630,DB12085,NSC-772868,SB193,T2080}

> <pdid>
PD012566

> <targets>
{cIAP}

> <classes>
{Apoptosis}

> <pubchem_cids>
{24737642}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 29 32  0  0  0  0            999 V2000
    7.7868    3.0152    0.0000 C   0  0
    6.4865    3.7630    0.0000 N   0  0
    6.4844    5.2638    0.0000 C   0  0
    7.7826    6.0168    0.0000 C   0  0
    7.7805    7.5168    0.0000 O   0  0
    5.1883    3.0099    0.0000 C   0  0
    3.8879    3.7577    0.0000 O   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    5.5172   -2.9563    0.0000 N   0  0
    7.0095   -3.1079    0.0000 C   0  0
    7.7640   -4.4044    0.0000 C   0  0
    7.6149   -1.7355    0.0000 C   0  0
    6.4972   -0.7364    0.0000 N   0  0
    6.4920    0.7636    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 12  1  0
 22 16  1  0
 10 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 23  1  0
 28 29  1  0
 29  8  2  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23412

> <plate>
PLATE 001

> <well>
C9

> <supplier_cmpd_name>
PF 03716556

> <ctcr_id>
7177

> <supplier_cmpd_id>
.

> <smiles>
CN(CCO)C(=O)c1cc(NC2CCOc3cccc(C)c23)c4nc(C)cn4c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{F371655,928774-43-0,928774430,PF-03716556,PF03716556,"PF 3716556",PF-3716556,PF3716556,"PF 03716556",UNII-701L6668UD,UNII701L6668UD,701L6668UD,CHEMBL3348943,DTXSID10648811,EX-A2129,EXA2129,ABP000709,
ZINC34893072,AKOS024458024,CCG-268592,CCG268592,CS-0412,CS0412,SB16512,NCGC00346889-01,NCGC0034688901,NCGC00346889-03,NCGC0034688903,S2222}

> <pdid>
PD039953

> <targets>
{ATPase,"Proton Pump"}

> <classes>
{}

> <pubchem_cids>
{25134521}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 22 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6071   -5.9984    0.0000 N   0  0
   -0.0092   -6.0025    0.0000 N   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 C   0  0
   -0.7537    5.2860    0.0000 C   0  0
   -1.2149    3.8587    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  5 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
  4 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 18  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23413

> <plate>
PLATE 001

> <well>
C10

> <supplier_cmpd_name>
Eniporide

> <ctcr_id>
11871

> <supplier_cmpd_id>
.

> <smiles>
Cc1cc(c(cc1C(=O)NC(=N)N)S(=O)(=O)C)n1cccc1

> <pd_targets>
{SLC9A3,SLC9A1,SLC9A2}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC09 family of sodium/hydrogen exchangers"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC9 family of sodium/hydrogen exchangers"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,"SLC-mediated transmembrane transport","Metabolism of carbohydrates","Transport of inorganic cations/anions and amino acids/oligopeptides","Glycosaminoglycan
 metabolism","Sodium/Proton exchangers","Hyaluronan metabolism","Hyaluronan uptake and degradation"}

> <broad_targets>
{}

> <broad_moa>
{"sodium/hydrogen antiport inhibitor"}

> <synonyms>
{T2089,Eniporide}

> <pdid>
PD043651

> <targets>
{Na+/K+-ATPase}

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

> <pubchem_cids>
{135743574}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 61 68  0  0  0  0            999 V2000
   -7.7568   -4.4434    0.0000 C   0  0
   -7.8049   -5.9426    0.0000 C   0  0
   -9.0926   -6.7120    0.0000 C   0  0
   -6.4995   -5.2037    0.0000 C   0  0
   -5.2069   -5.9647    0.0000 C   0  0
   -5.2196   -7.4647    0.0000 C   0  0
   -6.5250   -8.2036    0.0000 C   0  0
   -7.8177   -7.4425    0.0000 C   0  0
   -6.5378   -9.7042    0.0000 C   0  0
   -5.2464  -10.4674    0.0000 C   0  0
   -5.2616  -11.9674    0.0000 C   0  0
   -6.5681  -12.7042    0.0000 C   0  0
   -6.5833  -14.2041    0.0000 Cl  0  0
   -7.8595  -11.9411    0.0000 C   0  0
   -7.8444  -10.4412    0.0000 C   0  0
   -3.9247   -8.2235    0.0000 C   0  0
   -2.6197   -7.4823    0.0000 N   0  0
   -1.3244   -8.2389    0.0000 C   0  0
   -0.0216   -7.4954    0.0000 C   0  0
   -0.0140   -5.9954    0.0000 N   0  0
   -1.3093   -5.2389    0.0000 C   0  0
   -2.6121   -5.9823    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1954   -3.0153    0.0000 C   0  0
    5.2033   -1.5153    0.0000 O   0  0
    6.4915   -3.7721    0.0000 N   0  0
    7.7954   -3.0289    0.0000 S   0  0
    6.5004   -2.2719    0.0000 O   0  0
    7.8032   -1.5289    0.0000 O   0  0
    9.0914   -3.7857    0.0000 C   0  0
    9.0841   -5.2857    0.0000 C   0  0
   10.3794   -6.0420    0.0000 C   0  0
   11.6821   -5.2984    0.0000 C   0  0
   12.9766   -6.0579    0.0000 N   0  0
   12.9671   -7.5587    0.0000 C   0  0
   14.2616   -8.3181    0.0000 C   0  0
   14.2543   -9.8181    0.0000 C   0  0
   15.5496  -10.5745    0.0000 C   0  0
   16.8523   -9.8309    0.0000 O   0  0
   16.8597   -8.3310    0.0000 C   0  0
   15.5644   -7.5746    0.0000 C   0  0
   11.6895   -3.7984    0.0000 C   0  0
   10.3941   -3.0421    0.0000 C   0  0
   12.9914   -3.0517    0.0000 N   0  3
   12.9966   -1.5517    0.0000 O   0  0
   14.2880   -3.8058    0.0000 O   0  5
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  2  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  6 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  2  0
 30 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 39  1  0
 36 45  1  0
 45 46  2  0
 46 33  1  0
 45 47  1  0
 47 48  2  0
 47 49  1  0
 26 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 55  1  0
 59 60  2  0
 60 52  1  0
 50 61  2  0
 61 23  1  0
M  CHG  2  47   1  49  -1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23414

> <plate>
PLATE 001

> <well>
C11

> <supplier_cmpd_name>
ABT-199

> <ctcr_id>
2664

> <supplier_cmpd_id>
.

> <smiles>
CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c(c5)[N+](=O)[O-])c(Oc7cnc8[nH]ccc8c7)c4

> <pd_targets>
{BCL2,BCL2L1,BCL2L2,MCL1}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Nucleotide-binding domain","le
ucine rich repeat containing receptor (NLR) signaling pathways","FLT3 signaling in disease","Signaling by Interleukins",Inflammasomes,"Signaling by FLT3 ITD and TKD mutants","Interleukin-4 and Interle
ukin-13 signaling","The NLRP1 inflammasome","STAT5 activation downstream of FLT3 ITD mutants"}

> <broad_targets>
{BCL2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{HY-15531,HY15531,QC-11704,QC11704,Venetoclax,ABT-199,ABT199,1257044-40-8,1257044408,Venclexta,GDC-0199,GDC0199,"ABT 199",UNII-N54AIC43PW,UNIIN54AIC43PW,"GDC 0199",RG7601,"Venetoclax; Abt-199","Veneto
clax; Abt199","Venetoclax (ABT199)",RG-7601,N54AIC43PW,"ABT-199 (GDC-0199)","ABT199 (GDC0199)","Venetoclax (ABT-199)",venclyxto,BDBM189459,T2119,766270,16233,S8048}

> <pdid>
PD003393

> <targets>
{Bcl-2,Autophagy,Bcl-2 Family}

> <classes>
{Apoptosis,Autophagy}

> <pubchem_cids>
{49846579}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 25 26  0  0  0  0            999 V2000
    7.7965   -1.5150    0.0000 C   0  0
    6.4990   -0.7623    0.0000 C   0  0
    5.1972   -1.5092    0.0000 O   0  0
    3.8990   -0.7562    0.0000 C   0  0
    3.9026    0.7438    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5937   -3.0039    0.0000 C   0  0
    2.5901   -4.5039    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 Br  0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 O   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6071   -5.9984    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  3  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  3
 19  9  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 18 25  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23415

> <plate>
PLATE 001

> <well>
D2

> <supplier_cmpd_name>
HA14-1

> <ctcr_id>
608

> <supplier_cmpd_id>
.

> <smiles>
CCOC(=O)C(C#N)C1c2cc(Br)ccc2OC(=C1C(=O)OCC)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{BCL2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{A14,ha14-1,ha141,65673-63-4,65673634,"HA 14-1","HA 141",MFCD00218213,HA-14-1,HA141,927635-64-1,927635641,SR-01000511000,SR01000511000,C17H17BrN2O5,Maybridge1_000786,Maybridge1000786,Maybridge1-000786
,"Maybridge1 000786","2-oxo-2-(2-(tritylamino)thiazol-5-yl)acetic acid","2oxo2(2(tritylamino)thiazol5yl)acetic acid",BSPBio_001583,BSPBio001583,BSPBio-001583,"BSPBio 001583",KBioGR_000303,KBioGR000303
,KBioGR-000303,"KBioGR 000303",KBioSS_000303,KBioSS000303,KBioSS-000303,"KBioSS 000303",cc-453,cc453,SCHEMBL1427458,CHEBI:94328,HMS543L16,KBio,S1071,HA14-1}

> <pdid>
PD011152

> <targets>
{"BCL2 FAMILY",Bcl-2}

> <classes>
{Apoptosis}

> <pubchem_cids>
{3549}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 56 61  0  0  1  0            999 V2000
    9.0926   -3.7747    0.0000 C   0  0
    7.7959   -3.0206    0.0000 N   0  0
    7.8011   -1.5206    0.0000 C   0  0
    6.4933   -3.7660    0.0000 C   0  0
    5.1959   -3.0115    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0  2  0  0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4886   -5.2610    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    3.8912   -8.2640    0.0000 N   0  3
    2.5909   -7.5163    0.0000 O   0  5
    3.8934   -9.7640    0.0000 O   0  0
    9.0873   -8.2614    0.0000 S   0  0
    9.0868   -9.7614    0.0000 O   0  0
   10.3859   -9.0121    0.0000 O   0  0
   10.3875   -7.5119    0.0000 N   0  0
   11.6872   -8.2623    0.0000 C   0  0
   11.6867   -9.7623    0.0000 O   0  0
   12.9875   -7.5128    0.0000 C   0  0
   14.2876   -8.2609    0.0000 C   0  0
   15.5856   -7.5091    0.0000 C   0  0
   15.5836   -6.0091    0.0000 C   0  0
   14.2835   -5.2609    0.0000 C   0  0
   12.9855   -6.0127    0.0000 C   0  0
   16.8822   -5.2570    0.0000 N   0  0
   18.1836   -6.0031    0.0000 C   0  0
   19.4804   -5.2492    0.0000 C   0  0
   19.4760   -3.7492    0.0000 N   0  0
   18.1747   -3.0031    0.0000 C   0  0
   16.8779   -3.7569    0.0000 C   0  0
   20.7719   -2.9923    0.0000 C   0  0
   20.7653   -1.4915    0.0000 C   0  0
   19.4615   -0.7497    0.0000 C   0  0
   19.4519    0.7502    0.0000 C   0  0
   20.7461    1.5086    0.0000 C   0  0
   22.0499    0.7669    0.0000 C   0  0
   22.0595   -0.7331    0.0000 C   0  0
   23.3640   -1.4750    0.0000 C   0  0
   23.3761   -2.9751    0.0000 C   0  0
   24.6811   -3.7146    0.0000 C   0  0
   25.9741   -2.9542    0.0000 C   0  0
   27.2791   -3.6938    0.0000 Cl  0  0
   25.9621   -1.4543    0.0000 C   0  0
   24.6571   -0.7147    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  6 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 19 25  1  0
 25 26  2  0
 25 27  2  0
 25 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 34 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 37  1  0
 40 43  1  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 44  1  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 53 55  1  0
 55 56  2  0
 56 50  1  0
M  CHG  2  22   1  23  -1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23416

> <plate>
PLATE 001

> <well>
D3

> <supplier_cmpd_name>
ABT-737

> <ctcr_id>
4034

> <supplier_cmpd_id>
.

> <smiles>
CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(Cl)cc6

> <pd_targets>
{BCL2L1,BCL2L2,MCL1,BCL2,BAK1,BBC3,BAX,BID,BAD,BCL2L11}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{Disease,"Immune System","Programmed Cell Death","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Innate Immune System",Apoptos
is,"FLT3 signaling in disease","Signaling by Interleukins","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Intrinsic Pathway for Apoptosis","Signaling b
y FLT3 ITD and TKD mutants","Interleukin-4 and Interleukin-13 signaling",Inflammasomes,"Activation of BH3-only proteins","STAT5 activation downstream of FLT3 ITD mutants","The NLRP1 inflammasome","Act
ivation of BAD and translocation to mitochondria"}

> <broad_targets>
{BCL2,BCL2L1,BCL2L2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{BT73,ABT-737,ABT737,852808-04-9,852808049,"ABT 737",UNII-Z5NFR173NV,UNIIZ5NFR173NV,Z5NFR173NV,CHEMBL376408,C42H45ClN6O5S2,2yxj,PubChem20162,N3C,cc-242,cc242,SCHEMBL158942,GTPL8320,QCR-51,QCR51,DTXSID
7042641,"N-Benylpiperazine derivative, 2","NBenylpiperazine derivative, 2",BDBM21447,CHEBI:47575,AOB2880,EX-A056,EXA056,SYN1001,AB,11501}

> <pdid>
PD003415

> <targets>
{"BCL2 FAMILY"}

> <classes>
{}

> <pubchem_cids>
{11228183}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 31 33  0  0  0  0            999 V2000
    2.6003   -1.4977    0.0000 O   0  0
    3.8983   -0.7459    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 N   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -2.6130    7.4957    0.0000 O   0  0
   -1.3147    8.2488    0.0000 C   0  0
   -1.3147    9.7488    0.0000 C   0  0
   -2.6128   10.5020    0.0000 C   0  0
   -3.9132    9.7543    0.0000 O   0  0
   -2.6107   12.0028    0.0000 N   0  0
   -3.9081   12.7555    0.0000 C   0  0
   -0.0156   10.4988    0.0000 C   0  0
    1.2834    9.7488    0.0000 C   0  0
    1.2834    8.2488    0.0000 C   0  0
   -0.0156    7.4988    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 N   0  0
   -5.2089    5.9859    0.0000 Br  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
  1  2  1  0
  1  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 11  1  0
  9 21  2  0
 21 22  1  0
 22 23  2  0
 23  7  1  0
 21 24  1  0
  5 25  2  0
 25 26  1  0
 26 27  2  0
 27  3  1  0
 27 28  1  0
 28 29  1  0
 26 30  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23417

> <plate>
PLATE 001

> <well>
D4

> <supplier_cmpd_name>
SBI-0206965

> <ctcr_id>
11412

> <supplier_cmpd_id>
.

> <smiles>
O(C)c1cc(Nc2nc(Oc3c(C(=O)NC)cccc3)c(cn2)Br)cc(c1OC)OC

> <pd_targets>
{ULK1,ULK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase ULK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Unc-51-like kinase (ULK) family"}

> <pathway_reactome>
{Autophagy,Macroautophagy,"Selective autophagy",Mitophagy,"Receptor Mediated Mitophagy"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BI020696,SBI-0206965,SBI0206965,1884220-36-3,1884220363,Sbi0206965,"2-(5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl)oxy-N-methylbenzamide","2(5bromo2(3,4,5trimethoxyanilino)pyrimidin4yl)oxyNmeth
ylbenzamide",EDJ,CHEMBL4128069,SCHEMBL17544844,GTPL11339,EX-A747,EXA747,BDBM379177,BCP23859,BCP29511,"US10266549, Example 88",MFCD29472244,NSC784816,s,T2128}

> <pdid>
PD017271

> <targets>
{ULK1}

> <classes>
{Autophagy}

> <pubchem_cids>
{92044402}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 65 71  0  0  1  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2638   -2.2496    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 N   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5795   -7.5047    0.0000 C   0  0
   -3.8747   -8.2614    0.0000 C   0  0
   -3.8672   -9.7614    0.0000 C   0  0
   -2.5644  -10.5048    0.0000 C   0  0
   -1.2691   -9.7483    0.0000 C   0  0
   -1.2767   -8.2483    0.0000 C   0  0
   -2.5537  -12.0056    0.0000 C   0  0
   -3.8476  -12.7644    0.0000 O   0  0
   -1.2491  -12.7476    0.0000 N   0  0
   -1.2384  -14.2484    0.0000 S   0  0
   -2.5427  -13.5074    0.0000 O   0  0
   -2.5324  -15.0072    0.0000 O   0  0
    0.0661  -14.9904    0.0000 C   0  0
    0.0758  -16.4903    0.0000 C   0  0
    1.3797  -17.2319    0.0000 C   0  0
    2.6739  -16.4735    0.0000 C   0  0
    3.9769  -17.2182    0.0000 N   0  0
    3.9845  -18.7190    0.0000 C   0  0  2  0  0  0
    5.2867  -19.4651    0.0000 C   0  0
    6.5845  -18.7112    0.0000 C   0  0
    7.8867  -19.4573    0.0000 N   0  0
    9.1849  -18.7057    0.0000 C   0  0
   10.4849  -19.4541    0.0000 C   0  0
   10.4868  -20.9541    0.0000 O   0  0
    9.1887  -21.7057    0.0000 C   0  0
    7.8887  -20.9574    0.0000 C   0  0
    2.6868  -19.4729    0.0000 C   0  0
    1.3845  -18.7268    0.0000 S   0  0
    0.0868  -19.4807    0.0000 C   0  0
   -1.2158  -18.7369    0.0000 C   0  0
   -2.5113  -19.4930    0.0000 C   0  0
   -2.5042  -20.9930    0.0000 C   0  0
   -1.2017  -21.7368    0.0000 C   0  0
    0.0938  -20.9807    0.0000 C   0  0
    2.6642  -14.9735    0.0000 C   0  0
    1.3603  -14.2320    0.0000 C   0  0
    3.9590  -14.2147    0.0000 S   0  0
    3.9488  -12.7148    0.0000 O   0  0
    2.6550  -13.4734    0.0000 O   0  0
    5.2641  -14.9559    0.0000 C   0  0
    6.5582  -14.1975    0.0000 F   0  0
    5.2743  -16.4559    0.0000 F   0  0
    6.5681  -15.6973    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 Cl  0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 32 31  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 35  1  0
 32 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 30 49  1  0
 49 50  2  0
 50 27  1  0
 49 51  1  0
 51 52  2  0
 51 53  2  0
 51 54  1  0
 54 55  1  0
 54 56  1  0
 54 57  1  0
  7 58  1  0
 58  2  1  0
  6 59  1  0
 59 60  2  0
 60 61  1  0
 61 62  2  0
 62 63  1  0
 62 64  1  0
 64 65  2  0
 65 59  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23418

> <plate>
PLATE 001

> <well>
D5

> <supplier_cmpd_name>
Navitoclax

> <ctcr_id>
1167

> <supplier_cmpd_id>
.

> <smiles>
CC1(C)CCC(=C(CN2CCN(CC2)c3ccc(cc3)C(=O)N[S](=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc6ccccc6)c(c4)[S](=O)(=O)C(F)(F)F)C1)c7ccc(Cl)cc7

> <pd_targets>
{BCL2,BCL2L1,MCL1,BCL2L11,BCL2L2}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Nucleotide-binding domain","le
ucine rich repeat containing receptor (NLR) signaling pathways","FLT3 signaling in disease","Signaling by Interleukins",Inflammasomes,"Signaling by FLT3 ITD and TKD mutants","Interleukin-4 and Interle
ukin-13 signaling","The NLRP1 inflammasome","STAT5 activation downstream of FLT3 ITD mutants"}

> <broad_targets>
{BCL2,BCL2L1,BCL2L2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{BT26,Navitoclax,923564-51-6,923564516,ABT-263,ABT263,"ABT 263","ABT-263 (Navitoclax)","ABT263 (Navitoclax)",UNII-XKJ5VVK2WD,UNIIXKJ5VVK2WD,"Navitoclax (ABT-263)","Navitoclax (ABT263)",XKJ5VVK2WD,C47H
55ClF3N5O6S3,CHEMBL443684,A-855071.0,A855071.0,"Navitoclax (USAN:INN)",navitoclaxum,"ABT-263 Navitoclax","ABT263 Navitoclax","ABT-263,Navitoclax","ABT263,Navitoclax",PubChe,T2101,S1001}

> <pdid>
PD003309

> <targets>
{BCL2 FAMILY,Bcl-2 Family}

> <classes>
{Apoptosis}

> <pubchem_cids>
{24978538}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 32 33  0  0  0  0            999 V2000
    6.9144   -6.1912    0.0000 C   0  0
    6.3037   -4.8211    0.0000 N   0  0
    4.8111   -4.6641    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2537    0.5858    0.0000 S   0  0
    5.6776    1.0576    0.0000 O   0  0
    5.3744   -0.4112    0.0000 O   0  0
    3.1329    1.5839    0.0000 C   0  0
    1.7088    1.1126    0.0000 C   0  0
    0.5886    2.1101    0.0000 C   0  0
    0.8924    3.5790    0.0000 C   0  0
    2.3165    4.0504    0.0000 N   0  0
    3.4367    3.0528    0.0000 C   0  0
   10.7148    0.8042    0.0000 O   0  0
   10.7148   -0.6958    0.0000 C   0  0
    9.4155   -1.4453    0.0000 O   0  0
   12.0148   -1.4458    0.0000 C   0  0
   13.3148   -0.6958    0.0000 C   0  0
   14.6147   -1.4458    0.0000 C   0  0
   15.9140   -0.6962    0.0000 O   0  0
   14.6147   -2.9458    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
  6 14  1  0
 14 15  1  0
 15  4  2  0
 14 16  1  0
 16 17  2  0
 16 18  2  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23419

> <plate>
PLATE 001

> <well>
D6

> <supplier_cmpd_name>
Vonoprazan fumarate

> <ctcr_id>
7357

> <supplier_cmpd_id>
.

> <smiles>
CNCc1cc(c2ccccc2F)n(c1)S(=O)(=O)c3cccnc3.OC(=O)\C=C\C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AK43,"Vonoprazan Fumarate",TAK-438,TAK438,1260141-27-2,1260141272,881681-01-2,881681012,"Vonoprazan fumurate","TAK 438","Vonoprazan Fumarate (TAK-438)","Vonoprazan Fumarate (TAK438)",UNII-4QW3X4AMLB,
UNII4QW3X4AMLB,"TAK-438 monofumarate","TAK438 monofumarate","1260141-27-2 (fumarate)","1260141272 (fumarate)",4QW3X4AMLB,MFCD18633280,"Vonoprazan monofumurate",Takec,S8016}

> <pdid>

> <targets>
{"Potassium Channel"}

> <classes>
{}

> <pubchem_cids>
{45375887}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 21 23  0  0  0  0            999 V2000
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -5.1923   -1.5047    0.0000 Cl  0  0
   -7.8059    2.9863    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  3  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 15 21  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23420

> <plate>
PLATE 001

> <well>
D7

> <supplier_cmpd_name>
Alda-1

> <ctcr_id>
11715

> <supplier_cmpd_id>
.

> <smiles>
C1Oc2c(O1)cc(cc2)CNC(=O)c1c(cccc1Cl)Cl

> <pd_targets>
{TGR}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{ALDH2}

> <broad_moa>
{"aldehyde dehydrogenase activator"}

> <synonyms>
{LDA,Alda-1,Alda1,"Alda 1",349438-38-6,349438386,"N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide","N(1,3benzodioxol5ylmethyl)2,6dichlorobenzamide","N-(benzo(d)(1,3)dioxol-5-ylmethyl)-2,6-dichlor
obenzamide","N(benzo(d)(1,3)dioxol5ylmethyl)2,6dichlorobenzamide",BXB,Oprea1_166989,Oprea1166989,Oprea1-166989,"Oprea1 166989",MLS001206840,SCHEMBL503808,CHEMBL465952,N-Benzo(1,NBenzo(1,3)dioxol-5-ylm
ethyl-2,3)dioxol5ylmethyl2,6-dichlor,6dichlor,T2662}

> <pdid>
PD012279

> <targets>
{ALDH2}

> <classes>
{Metabolism}

> <pubchem_cids>
{831629}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 42 44  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8977   -3.7504    0.0000 C   0  0
   -5.1981   -3.0025    0.0000 C   0  0
   -5.2005   -1.5025    0.0000 C   0  0
   -6.4959   -3.7546    0.0000 C   0  0
   -6.4935   -5.2546    0.0000 C   0  0
   -7.7914   -6.0067    0.0000 C   0  0
   -9.0939   -5.2610    0.0000 C   0  0
  -10.3906   -6.0149    0.0000 C   0  0
   -9.0989   -3.7610    0.0000 C   0  0
   -7.7890   -7.5067    0.0000 C   0  0
   -9.0868   -8.2587    0.0000 O   0  0
   -6.4888   -8.2546    0.0000 C   0  0
   -6.4864   -9.7546    0.0000 O   0  0
   -5.1909   -7.5025    0.0000 C   0  0
   -3.8915   -8.2535    0.0000 C   0  0
   -3.8912   -9.7535    0.0000 O   0  0
   -5.1933   -6.0025    0.0000 C   0  0
   -3.8955   -5.2505    0.0000 C   0  0
   -2.5953   -5.9984    0.0000 O   0  0
    7.6990   -2.2511    0.0000 C   0  0
    7.6990   -3.7511    0.0000 C   0  0
    6.3997   -4.5007    0.0000 O   0  0
    8.9983   -4.5007    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19  4  1  0
 19 12  1  0
 15 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 25 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 35  2  0
 33 36  1  0
 36 24  1  0
 36 37  2  0
 37 20  1  0
 37 38  1  0
 39 40  1  0
 40 41  1  0
 40 42  2  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23421

> <plate>
PLATE 001

> <well>
D8

> <supplier_cmpd_name>
Gossypol acetic acid

> <ctcr_id>
5765

> <supplier_cmpd_id>
.

> <smiles>
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O.CC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"OSSYPOLACETIC ACID COMPLE","Gossypol acetic acid","gossypol-Acetic acid","gossypolAcetic acid",12542-36-8,12542368,"Gossypol acetate","Acetate gossypol",866541-93-7,866541937,"Gossypol (acetic acid)
","(-)-Gossypol acetic acid","()Gossypol acetic acid","GOSSYPOL-ACETIC ACID COMPLEX","GOSSYPOLACETIC ACID COMPLEX",AT101,5453-04-3,5453043,"(S)-Gossypol (ace","(S)Gossypol (ace",T6396,T2730,1502099,"A
T101 acetate"}

> <pdid>

> <targets>
{}

> <classes>
{"male contraceptive"}

> <pubchem_cids>
{227456}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 30 33  0  0  1  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -5.1953    1.5031    0.0000 O   0  0
   -5.1932    3.0039    0.0000 C   0  0  1  0  0  0
   -6.4896    3.7585    0.0000 C   0  0  1  0  0  0
   -6.4844    5.2585    0.0000 C   0  0  2  0  0  0
   -5.1828    6.0040    0.0000 C   0  0  1  0  0  0
   -3.8864    5.2495    0.0000 C   0  0  2  0  0  0
   -3.8916    3.7495    0.0000 O   0  0
   -2.5856    5.9981    0.0000 C   0  0
   -2.5825    7.4981    0.0000 O   0  0
   -5.1776    7.5040    0.0000 O   0  0
   -7.7809    6.0129    0.0000 O   0  0
   -7.7913    3.0130    0.0000 O   0  0
    6.4924   -3.7566    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 10  1  0
 16 18  1  0
 19 18  1  1
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 23 25  1  1
 25 26  1  0
 22 27  1  6
 21 28  1  1
 20 29  1  6
  3 30  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23422

> <plate>
PLATE 001

> <well>
D9

> <supplier_cmpd_name>
Daidzin

> <ctcr_id>
11156

> <supplier_cmpd_id>
.

> <smiles>
c1cc(ccc1c1coc2c(c1=O)ccc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

> <pd_targets>
{ALDH2,RAB9A,SMN1,ALDH1B1,ALDH1A2,IL2,NPC1,STX1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Secreted protein",Transporter,"Unclassified protein",Oxidoreductase,Hydrolase,Reader,"Methyl-lysine/arginine binding protein","Tudor domain"}

> <pathway_chembl>
{Enzymes,Transporters,"1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","SLC65 NPC-type cholesterol transporters"}

> <pathway_reactome>
{"Neuronal System","Signal Transduction","Metabolism of RNA",Metabolism,"Gene expression (Transcription)","Transport of small molecules","Transmission across Chemical Synapses","Signaling by Rho GTPas
es","Metabolism of non-coding RNA","Biological oxidations","Signaling by Nuclear Receptors","RNA Polymerase II Transcription","Plasma lipoprotein assembly",remodeling,"and clearance","Neurotransmitter
 clearance","Rho GTPase cycle","snRNP Assembly","Phase I - Functionalization of compounds","Signaling by Retinoic Acid","Generic Transcription Pathway","Plasma lipoprotein clearance","Serotonin cleara
nce from the synaptic cleft","RHOBTB GTPase Cycle","Ethanol oxidation","RA biosynthesis pathway","Transcriptional regulation by RUNX1","LDL clearance","Metabolism of serotonin","RHOBTB3 ATPase cycle",
"RUNX1 and FOXP3 control the development of regulatory T lymphocytes (Tregs)"}

> <broad_targets>
{ALDH2}

> <broad_moa>
{antioxidant}

> <synonyms>
{Daidzin,552-66-9,552669,Daidzoside,"Daidzein 7-O-glucoside","Daidzein 7Oglucoside","Daidzein 7-glucoside","Daidzein 7glucoside",daidzein-7-o-glucoside,daidzein7oglucoside,"daidzein 7-O-beta-D-glucosi
de","daidzein 7ObetaDglucoside",UNII-4R2X91A5M5,UNII4R2X91A5M5,7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,7(betaDGlucopyranosyloxy)3(4hydroxyphenyl)4H1benzopyran4one,CHEBI:
42202,Daidzein-7-glucos,Daidzein7glucos,T2901}

> <pdid>
PD008540

> <targets>
{ALDH-¢ñ,ALDH-¢ò,Mitochondrial Metabolism,Reverse Transcriptase}

> <classes>
{Metabolism,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{107971}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 29 31  0  0  0  0            999 V2000
    6.8067   -6.0878    0.0000 C   0  0
    5.5290   -6.8737    0.0000 O   0  0
    4.2107   -6.1619    0.0000 C   0  0
    4.0146   -4.6747    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8242   -5.7201    0.0000 N   0  0
    2.8570   -6.8080    0.0000 C   0  0
    2.5812   -8.2806    0.0000 C   0  0
    1.1659   -8.7799    0.0000 C   0  0
   -0.0469   -7.9190    0.0000 N   0  0
   -1.2399   -8.8283    0.0000 C   0  0
   -2.6768   -8.3976    0.0000 C   0  0
   -0.7438  -10.2439    0.0000 C   0  0
    0.7558  -10.2095    0.0000 C   0  0
    1.6721  -11.3971    0.0000 C   0  0
   10.6074   -3.4488    0.0000 C   0  0
   10.6074   -4.9488    0.0000 S   0  0
    9.3081   -5.6984    0.0000 O   0  0
   11.9066   -5.6984    0.0000 O   0  0
   10.6074   -6.4488    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  8  1  0
 13 14  2  3
 14  6  1  0
  5 15  1  0
 15 16  1  0
 16  3  1  0
 16 17  2  3
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 18  2  0
 23 24  1  0
 25 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23423

> <plate>
PLATE 001

> <well>
D10

> <supplier_cmpd_name>
Obatoclax Mesylate

> <ctcr_id>
3668

> <supplier_cmpd_id>
.

> <smiles>
COC1=CC(=C2C=C3C=CC=CC3=N2)NC1=Cc4[nH]c(C)cc4C.CS(=O)(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Obatoclax mesylate",803712-79-0,803712790,"803712 79 0","BCl-2 Inhibitor GX15-070","BCl2 Inhibitor GX15070","BCl 2 Inhibitor GX15 070","Obatoclax (GX15-070)","Obatoclax (GX15070)","Obatoclax (GX15 0
70)",HMS3654E13,HMS3746M11,BCP01829,ANW-53674,ANW53674,OBATOCLAX}

> <pdid>
PD030207

> <targets>
{"BCL2 FAMILY"}

> <classes>
{}

> <pubchem_cids>
{70700268}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 28 30  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  5
    2.5973   -1.5031    0.0000 N   0  3
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2948    3.7517    0.0000 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    7.7904    6.0072    0.0000 Cl  0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5986    0.0004    0.0000 O   0  0
   -2.5998    3.0012    0.0000 C   0  0
   -3.8993    3.7504    0.0000 C   0  0
   -3.9002    5.2504    0.0000 C   0  0
   -2.6017    6.0012    0.0000 C   0  0
   -1.3022    5.2521    0.0000 C   0  0
   -1.3012    3.7521    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  5 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19  4  1  0
 17 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23424

> <plate>
PLATE 001

> <well>
D11

> <supplier_cmpd_name>
BTB06584

> <ctcr_id>
11872

> <supplier_cmpd_id>
.

> <smiles>
[O-][N+](=O)c1c(OC(=O)c2ccc(Cl)cc2)cc(cc1)S(=O)(=O)c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ATP5F1}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{BTB06584,219793-45-0,219793450,"AHAS inhibitor","2-nitro-5-(phenylsulfonyl)phenyl 4-chlorobenzoate","2nitro5(phenylsulfonyl)phenyl 4chlorobenzoate","(5-(benzenesulfonyl)-2-nitrophenyl) 4-chlorobenzoa
te","(5(benzenesulfonyl)2nitrophenyl) 4chlorobenzoate","5-(benzenesulfonyl)-2-nitrophenyl 4-chlorobenzoate","5(benzenesulfonyl)2nitrophenyl 4chlorobenzoate",C19H12ClNO6S,Oprea1_170890,Oprea1170890,Opr
ea1-170890,"Oprea1 170890","AHAS inhibitor(BTB06",T1940}

> <pdid>
PD010306

> <targets>
{ATPase,Acetohydroxyacid synthase,ATP Synthase}

> <classes>
{Endocrinology/Hormones,Membrane transporter/Ion channel,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{2799764}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 62 68  0  0  1  0            999 V2000
    2.3479   -2.2342    0.0000 C   0  0
    1.3857   -1.0835    0.0000 C   0  0
    1.9017    0.3250    0.0000 O   0  0
   -0.0927   -1.3420    0.0000 O   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  1  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    4.0400   -2.4900    0.0000 C   0  0
    4.0400   -1.0400    0.0000 C   0  0  1  0  0  0
    4.7600    0.2300    0.0000 O   0  0
    3.4900    0.9500    0.0000 C   0  0
    2.7600   -0.3100    0.0000 C   0  0  2  0  0  0
    3.9139    0.6592    0.0000 O   0  0
    3.6492    2.1365    0.0000 C   0  0
    2.2381    2.6452    0.0000 C   0  0
    4.7950    3.1046    0.0000 O   0  0
    1.4900   -1.0400    0.0000 C   0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  2  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -4.9103    1.2119    0.0000 C   0  0
   -3.6112    1.9619    0.0000 O   0  0
   -6.2098    1.9627    0.0000 C   0  0  2  0  0  0
   -7.5088    1.2126    0.0000 O   0  0
   -6.2103    3.4635    0.0000 C   0  0  1  0  0  0
   -7.5099    4.2143    0.0000 N   0  0
   -7.5104    5.7151    0.0000 C   0  0
   -6.2114    6.4651    0.0000 O   0  0
   -8.8099    6.4659    0.0000 C   0  0
   -8.8126    7.9659    0.0000 C   0  0
  -10.1130    8.7137    0.0000 C   0  0
  -11.4107    7.9614    0.0000 C   0  0
  -11.4081    6.4614    0.0000 C   0  0
  -10.1077    5.7137    0.0000 C   0  0
   -4.9107    4.2139    0.0000 C   0  0
   -4.9085    5.7140    0.0000 C   0  0
   -3.6085    6.4623    0.0000 C   0  0
   -2.3105    5.7105    0.0000 C   0  0
   -2.3125    4.2105    0.0000 C   0  0
   -3.6125    3.4623    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  6
 10 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 13  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 18 20  2  0
 16 21  1  0
 21  8  1  0
 21 22  1  0
 22 23  1  1
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 22 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  0
 35 36  1  1
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  6
 39 41  1  0
 41 42  1  1
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 45  1  0
 41 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 51  1  0
 35 57  1  0
 57 58  2  3
 58  5  1  0
 58 59  1  0
 59 32  1  0
 59 60  1  0
 59 61  1  0
 57 62  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23425

> <plate>
PLATE 001

> <well>
E2

> <supplier_cmpd_name>
Paclitaxel

> <ctcr_id>
4999

> <supplier_cmpd_id>
.

> <smiles>
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C

> <pd_targets>
{KMT2A,MEN1,LMNA,ITGAV,ITGB3,TUBB2B,RORC,FFP,SLCO1B3,SLCO1B1,MAPT,CYP3A4,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,PMP22,AMPC,THPO,NPSR1,BLM,ABCB11,TH
RB,HIF1A,MERTK,GROES,GROL,LEF,GMNN,CYP2C9,CCKAR,BOTA,RECQL,TUBB5,NR1I2,CYP1A2,MC5R,ERBB2,OPRD1,TACR2,MTOR,FYN,ABCB1,NOD2,TLR4,BCL2}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein","Membrane receptor","Structural protein",Enzyme,"Transcription factor",Transporter,"Other cytosolic protein","Unclassified protein","Ion channel",Reader
,Protease,"Nuclear receptor",Transferase,"Electrochemical transporter","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Primary active transporter",Kinase,"Other ion channel",Bromodo
main,"Cysteine protease","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","ATP-binding cassette","Protein Kinas
e","Metallo protease","Cytochrome P450 family 2","Cytochrome P450 family 1","Miscellaneous ion channel","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of
 organic anion transporting polypeptides","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","ABCB subfamily","Nuclear hormone receptor subfamily 1 group A","TK protein kinase group"
,"Metallo protease MAE clan","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 family 1A","Atypical protein kinase group","Bcl-2 family","Cysteine protease C1
A family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group A member 2","Tyrosine protein kinase Axl fam
ily","Metallo protease M34 family","Cytochrome P450 2C9","Cholecystokinin receptor","Metallo protease M27 family","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 1A1","Melanoc
ortin receptor","Tyrosine protein kinase EGFR family","Opioid receptor","Neurokinin receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","Atypical protein kinase FRAP s
ubfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Other protein targets","Catalytic receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","Cytochrome P450","G protein-coupled receptors","ATP-bind
ing cassette transporter family",Tubulins,"Kinases (EC 2.7.x.x)","B-cell lymphoma 2 (Bcl-2) protein family",Integrins,"1F. Retinoic acid-related orphans","SLCO family of organic anion transporting pol
ypeptides","CYP3 family","Neuropeptide S receptor","ABCB subfamily","1A. Thyroid hormone receptors","Receptor kinases","CYP2 family: drug metabolising subset","Cholecystokinin receptors","1I. Vitamin 
D receptor-like receptors","CYP1 family","Melanocortin receptors","Opioid receptors","Tachykinin receptors",Atypical,"Pattern recognition receptors","TK: Tyrosine kinase","Phosphatidyl inositol 3' kin
ase-related kinases (PIKK) family","NOD-like receptor family","Toll-like receptor family","Receptor tyrosine kinases (RTKs)","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Type XI RTKs: TAM
 (TYRO3-","AXL- and MER-TK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Metabolism,"Neuronal System","Developmental Biology",Hemostasis,Disease,"DNA Repair","Metabolism of proteins","Cellular responses to external stimuli","
Signal Transduction","Immune System",Mitotic,"RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Nervous system development","Platelet activation","signal
ing and aggregation","Infectious disease","DNA Double-Strand Break Repair","Post-translational protein modification","Cellular responses to stress","Cell surface interactions at the vascular wall","Bi
ological oxidations","Signaling by GPCR","Abacavir transport and metabolism","Innate Immune System","M Phase","Generic Transcription Pathway","Metabolism of steroids","Neurotransmitter receptors and p
ostsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Platelet Aggregation (Plug Formation)","L
eishmania infection","Homology Directed Repair",SUMOylation,"Cellular response to hypoxia","Uptake and actions of bacterial toxins","Mitotic G1 phase and G1/S transition","Phase I - Functionalization 
of compounds","GPCR ligand binding","Mitotic G2-G2/M phases","Axon guidance","HIV Infection","Abacavir transmembrane transport","Toll-like Receptor Cascades","Nucleotide-binding domain","leucine rich 
repeat containing receptor (NLR) signaling pathways","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","Activation of NMDA receptors and posts
ynaptic events","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","SUMO E3 ligases SUMOylate ta
rget proteins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","G1/S Transition","Cytochrome P450 - arranged by substrate type","Clas
s A/1 (Rhodopsin-like receptors)","Neurotoxicity of clostridium toxins","G2/M Transition","Semaphorin interactions","Transcriptional Regulation by TP53","Host Interactions of HIV factors","Toll Like R
eceptor 5 (TLR5) Cascade","Toll Like Receptor 4 (TLR4) Cascade",Inflammasomes,"Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Recycling of bile acids and salts","Post NMDA rec
eptor activation events","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","HDR through Homologous Recombination (HRR)","Synthesis of bile acids and bile 
salts","SUMOylation of intracellular receptors","Activation of the pre-replicative complex",Xenobiotics,"Peptide ligand-binding receptors","Toxicity of botulinum toxin type A (botA)","Centrosome matur
ation","Sema4D in semaphorin signaling","Regulation of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","MyD88 cascade initiated on plasma membrane","MyD88-independent TL
R4 cascade","The NLRP1 inflammasome","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines prod
uction","Homologous DNA Pairing and Strand Exchange","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions","Loss of proteins required for interphase microtubule org
anization from the centrosome","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Sema4D induced cell migration and growth-cone collapse","Tachykinin receptors bind tachykinins","Regu
lation of TP53 Expression and Degradation","Nef and signal transduction","MAP kinase activation","TRIF(TICAM1)-mediated TLR4 signaling","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic p
hase of homologous DNA pairing and strand exchange","Loss of Nlp from mitotic centrosomes","Sealing of the nuclear envelope (NE) by ESCRT-III","Regulation of TP53 Degradation","activated TAK1 mediates
 p38 MAPK activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{BCL2,MAP2,MAP4,MAPT,NR1I2,TLR4,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{SBI-0051168.P003,SBI0051168.P003,AB0008536,EU-0101201,EU0101201,P1632,C07394,paclitaxel,33069-62-4,33069624,C47H51NO14,"Paclitaxel - Taxol","Paclitaxel  Taxol",S1150_Selleck,S1150Selleck,S1150-Sellec
k,"S1150 Selleck",Spectrum_001536,Spectrum001536,Spectrum-001536,"Spectrum 001536",Spectrum2_000872,Spectrum2000872,Spectrum2-000872,"Spectrum2 000872",Spectrum3_001057,Spectrum3001057,Spectrum3-00105
7,"Spectrum3 001057",Spectrum4_001197,Spectrum4001197,Spectrum4-001197,"Spectrum4 001197",Spectrum5_001491,Spectrum5001491,Spectrum5-001491,"Spectrum5 001491",Probes2_000350,Probes2000350,Probes2-0003
50,"Probes2 000350",Lopac0_001201,Lopac0001201,Lopac0-001201,"Lopac0 001201",BSPBio_00115,BSPBio00115,BSPBio-00115,"BSPBio 00115",T3S2372,T0968,1503908,7-Epitaxol,Paclitaxel,PACLITAXEL}

> <pdid>
PD000814

> <targets>
{}

> <classes>
{antineoplastic}

> <pubchem_cids>
{441276}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 24 26  0  0  0  0            999 V2000
   11.6975   -3.7386    0.0000 O   0  0
   10.3985   -2.9887    0.0000 C   0  0
   10.3984   -1.4887    0.0000 C   0  0
    9.0994   -0.7387    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    7.8004   -2.9887    0.0000 C   0  0
    9.0995   -3.7387    0.0000 C   0  0
    9.0995   -5.2387    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  2  0
 20 11  1  0
 20 21  1  0
  5 22  1  0
 22 23  2  0
 23  2  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23426

> <plate>
PLATE 001

> <well>
E3

> <supplier_cmpd_name>
Dynasore

> <ctcr_id>
205

> <supplier_cmpd_id>
.

> <smiles>
Oc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1O

> <pd_targets>
{DNM1}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Vesicle-mediated transport","Membrane Trafficking","Gap junction trafficking and regulation","Gap junction trafficking","Gap junction degradation","Formation of annular gap junctions"}

> <broad_targets>
{DNM1,DNM1L,DNM2}

> <broad_moa>
{"dynamin inhibitor"}

> <synonyms>
{Dynasore,304448-55-3,304448553,"Dynamin Inhibitor I, Dynasore","3-Hydroxynaphthalene-2-carboxylic acid (3,4-dihydroxybenzylidene)hydrazide","3Hydroxynaphthalene2carboxylic acid (3,4dihydroxybenzylide
ne)hydrazide",CBDivE_000620,CBDivE000620,CBDivE-000620,"CBDivE 000620",SCHEMBL847982,HMS3653H06,ZINC33849776,AKOS030238852,ZINC100487313,ZINC242677097,MCULE-2484858584,MCULE2484858584,AK499416,T1848,S
8047}

> <pdid>
PD010467

> <targets>
{Dynamin}

> <classes>
{Others}

> <pubchem_cids>
{708101}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 29 31  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -7.8010    1.4796    0.0000 N   0  0
   -9.0971    0.7229    0.0000 C   0  0
   -9.0893   -0.7771    0.0000 O   0  0
  -10.4010    1.4661    0.0000 N   0  0
  -11.6971    0.7094    0.0000 C   0  0
  -13.0013    1.4503    0.0000 C   0  0
  -14.2951    0.6913    0.0000 C   0  0
  -14.2848   -0.8086    0.0000 C   0  0
  -15.5786   -1.5676    0.0000 C   0  0
  -12.9806   -1.5496    0.0000 N   0  0
  -11.6867   -0.7907    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 21  1  0
 16 28  2  0
 28 12  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23427

> <plate>
PLATE 001

> <well>
E4

> <supplier_cmpd_name>
Omecamtiv mecarbil

> <ctcr_id>
3504

> <supplier_cmpd_id>
.

> <smiles>
COC(=O)N1CCN(CC1)Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F

> <pd_targets>
{MYH6,MYH7,MYH7B,MYL2,MYL3,MYL4,MYL7}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{MYBPC3}

> <broad_moa>
{"cardiac myosin activator"}

> <synonyms>
{"Omecamtiv mecarbil",873697-71-3,873697713,"Omecamtiv mecarbil (CK-1827452)","Omecamtiv mecarbil (CK1827452)",CK-1827452,CK1827452,"CK 1827452",UNII-2M19539ERK,UNII2M19539ERK,AMG-423,AMG423,CHEMBL180
0955,2M19539ERK,CK-452,CK452,"Omecamtiv mecarbil (USAN:INN)",omecamtiv-mecarbil,omecamtivmecarbil,"omecamtiv mercarbil",MLS006011266,SCHEMB,T2006,S2623}

> <pdid>
PD010915

> <targets>
{ATPase,Myosin}

> <classes>
{Transmembrane Transporters,Cytoskeleton}

> <pubchem_cids>
{11689883}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 Cl  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 S   0  0
   -2.5800    0.0304    0.0000 O   0  0
   -1.2638   -2.2496    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14  2  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23428

> <plate>
PLATE 001

> <well>
E5

> <supplier_cmpd_name>
Diazoxide

> <ctcr_id>
5769

> <supplier_cmpd_id>
.

> <smiles>
CC1=Nc2ccc(Cl)cc2[S](=O)(=O)N1

> <pd_targets>
{RORC,LMNA,CYP2D6,AMPC,TSHR,CYP3A4,CYP1A2,ABCC8,KCNJ11,THRB,KCNJ8,CA1,CA2,ATP1A1,KCNMA1}

> <pathway_gtopdb>
{"Transcription factor","Other nuclear protein",Enzyme,"Membrane receptor","Ion channel",Transporter,"Nuclear receptor","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Voltage-gated
 ion channel",Lyase,"Primary active transporter","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family
 1","Potassium channels","P-type ATPase","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 2D","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Inw
ardly rectifying potassium channel","Nuclear hormone receptor subfamily 1 group A","Sodium potassium ATPase","Calcium-activated potassium channel","Nuclear hormone receptor subfamily 1 group F member 
3","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","Carbonic anhydrases","P-type ATPases","1F. Reti
noic acid-related orphans","CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","CYP3 family","CYP1 family","Potassium channels","1A. Thyroid hormone receptors","P2C P-type ATPases
","Inwardly rectifying potassium channels",Na<sup>+</sup>/K<sup>+</sup>-ATPases,"Calcium- and sodium-activated potassium channels"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Metabolism,Disease,"Metabolism of proteins","Neuronal System","Immune System","Transport of small molecules",Hemostasis,"RNA Polymerase II Transcription
",Mitotic,"Biological oxidations","Infectious disease","Metabolism of lipids","Disorders of transmembrane transporters","Post-translational protein modification","Potassium Channels","Cytokine Signali
ng in Immune system","O2/CO2 exchange in erythrocytes","Platelet homeostasis","Generic Transcription Pathway","M Phase","Phase I - Functionalization of compounds","Leishmania infection","Biosynthesis 
of specialized proresolving mediators (SPMs)","ABC transporter disorders",SUMOylation,"Inwardly rectifying K+ channels","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxy
gen","SARS-CoV Infections","Nitric oxide stimulates guanylate cyclase","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Leishmania
 parasite growth and survival","Biosynthesis of DHA-derived SPMs","Defective ABCC8 can cause hypo- and hyper-glycemias","SUMO E3 ligases SUMOylate target proteins","ATP sensitive Potassium channels","
Interleukin-12 family signaling","Potential therapeutics for SARS","cGMP effects","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase",Xenobiotics,"Anti-inflammatory response favour
ing Leishmania parasite infection","Biosynthesis of maresins","SUMOylation of intracellular receptors","Interleukin-12 signaling","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","ADORA2B mediate
d anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Gene and protein expression by JAK-STAT signaling afte
r Interleukin-12 stimulation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ATP1A1,CA1,CA2,KCNJ11,KCNJ8,KCNMA1,SLC12A3}

> <broad_moa>
{"potassium channel activator"}

> <synonyms>
{364-98-7,364987,Proglycem,Eudemine,Hyperstat,Hypertonalum,Proglicem,Dizoxide,Mutabase,"7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide","7Chloro3methyl2H1,2,4benzothiadiazine 1,1dioxide",Diaz
ossido,"Sch 6783",Sch-6783,Sch6783,Diazoxido,Diazoxidum,"SRG 95213",SRG-95213,SRG95213,C8H7ClN2O2S,2H-1,2H1,2,4-Be,4Be,SAM001246872,2300206,Prestw-87,CPD000058392,DIAZOXIDE,Diazoxide}

> <pdid>
PD000067

> <targets>
{Autophagy,Potassium Channel}

> <classes>
{antihypertensive,diuretic,activates K channels and AMPA receptors,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{3019}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 20 22  0  0  0  0            999 V2000
    9.0976   -3.7432    0.0000 F   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 F   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18  8  1  0
 18 12  1  0
  5 19  1  0
 19 20  2  0
 20  2  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23429

> <plate>
PLATE 001

> <well>
E6

> <supplier_cmpd_name>
Spautin-1

> <ctcr_id>
8352

> <supplier_cmpd_id>
.

> <smiles>
Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1

> <pd_targets>
{USP10,USP13,PIK3C3}

> <pathway_gtopdb>
{Enzyme,Protease,Transferase,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C19 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases","Phosphatidylinositol 3-kinase family"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction","DNA Damage Bypass","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Translesion synthesis by Y family DNA polymerases bypas
ses lesions on DNA template","PIP3 activates AKT signaling","Signaling by Insulin receptor","Termination of translesion DNA synthesis","PTEN Regulation","Insulin receptor signalling cascade","Regulati
on of PTEN stability and activity","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{USP10,USP13}

> <broad_moa>
{"deubiquitinase inhibitor"}

> <synonyms>
{PAUTIN,Spautin-1,Spautin1,1262888-28-7,1262888287,6-Fluoro-N-(4-fluorobenzyl)quinazolin-4-amine,6FluoroN(4fluorobenzyl)quinazolin4amine,"Spautin 1",6-fluoro-N-((4-fluorophenyl)methyl)quinazolin-4-ami
ne,6fluoroN((4fluorophenyl)methyl)quinazolin4amine,CHEMBL2391504,6-Fluoro-N-((4-Fluorophenyl)methyl)-4-quinazolinamine,6FluoroN((4Fluorophenyl)methyl)4quinazolinamine,4-Quinazolinamine,4Quinazolinamin
e,6-fluoro-N-((4-fluorop,6fluoroN((4fluorop,T1937,5197}

> <pdid>
PD003300

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{51037431}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
    2.5876   -5.9994    0.0000 C   0  0
    3.8889   -5.2533    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 S   0  0
    3.8991   -0.7525    0.0000 C   0  0
    3.9015    0.7475    0.0000 Cl  0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4924   -3.7566    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  6  1  0
 15 16  2  0
  7 17  1  0
  5 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23430

> <plate>
PLATE 001

> <well>
E7

> <supplier_cmpd_name>
Mdivi 1

> <ctcr_id>
4272

> <supplier_cmpd_id>
.

> <smiles>
COc1cc(N2C(=Nc3ccccc3C2=O)S)c(Cl)cc1Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Mdivi-1,Mdivi1,338967-87-6,338967876,"Mdivi 1","3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone","3(2,4dichloro5methoxyphenyl)2sulfanyl4(3H)quinazolinone","3-(2,4-Dichloro-5-methoxyph
enyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone","3(2,4Dichloro5methoxyphenyl)2,3dihydro2thioxo4(1H)quinazolinone","3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one","3(2,4dichloro5
methoxyphenyl)2sulfanylidene1Hquinazolin4one",C15H10,3982,S7162}

> <pdid>

> <targets>
{Dynamin}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{3825829}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 39 43  0  0  0  0            999 V2000
    5.2121    2.9948    0.0000 C   0  0
    5.2066    1.4948    0.0000 C   0  0
    3.9046    0.7483    0.0000 O   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 N   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.2111   -5.9837    0.0000 C   0  0
   -5.2189   -7.4837    0.0000 O   0  0
   -6.5072   -5.2269    0.0000 C   0  0
   -7.8111   -5.9702    0.0000 O   0  0
   -9.1071   -5.2134    0.0000 C   0  0
  -10.4114   -5.9544    0.0000 C   0  0
  -11.7052   -5.1954    0.0000 C   0  0
  -11.6948   -3.6954    0.0000 C   0  0
  -12.9887   -2.9365    0.0000 Cl  0  0
  -10.3906   -2.9544    0.0000 C   0  0
   -9.0968   -3.7134    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  2  3
 20 10  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 26 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 39 33  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23431

> <plate>
PLATE 001

> <well>
E8

> <supplier_cmpd_name>
Erastin

> <ctcr_id>
1289

> <supplier_cmpd_id>
.

> <smiles>
CCOc1ccccc1N2C(=O)c3ccccc3N=C2C(C)N4CCN(CC4)C(=O)COc5ccc(Cl)cc5

> <pd_targets>
{VDAC2,SLC7A11}

> <pathway_gtopdb>
{"Ion channel",Transporter,"Other ion channel","Electrochemical transporter","Mitochondrial and plastid porin family","SLC superfamily of solute carriers","Voltage-dependent anion-selective channel","
SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","SLC07 Cationic amino acid transporter/glycoprotein-associated family"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","SLC7 family"}

> <pathway_reactome>
{"Metabolism of proteins","Transport of small molecules","Post-translational protein modification","SLC-mediated transmembrane transport",Deubiquitination,"Transport of inorganic cations/anions and am
ino acids/oligopeptides","Ub-specific processing proteases","Amino acid transport across the plasma membrane"}

> <broad_targets>
{VDAC2}

> <broad_moa>
{"ion channel antagonist"}

> <synonyms>
{ERASTIN,571203-78-6,571203786,MFCD09837984,CHEMBL401989,SCHEMBL4457820,"Erastin, >=98 (HPLC)",CHEBI:94287,AOB6043,DTXSID80458949,EX-A295,EXA295,HMS3653K21,HMS3868M03,BCP27907,2400AH,BDBM50376126,s724
2,AKOS025147365,CCG-269987,CCG269987,CS-1675,CS1675,"Erastin - CAS 571203-78-6","Erastin  CAS 571203786",SB19,T1765,E7781,S7242,Erastin,erastin}

> <pdid>
PD003697

> <targets>
{Ferroptosis}

> <classes>
{Metabolism}

> <pubchem_cids>
{11214940}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 20 21  0  0  1  0            999 V2000
    5.3192   -0.2597    0.0000 C   0  0
    4.1500    0.6800    0.0000 C   0  0  1  0  0  0
    2.5200    0.3600    0.0000 C   0  0
    2.3100   -1.1700    0.0000 C   0  0
    1.3300   -1.6300    0.0000 C   0  0
    0.1900   -1.1200    0.0000 C   0  0
    0.0000    0.3600    0.0000 C   0  0
   -1.5600    0.8100    0.0000 C   0  0  2  0  0  0
   -3.0100    0.3400    0.0000 C   0  0
   -3.9100    1.5700    0.0000 C   0  0  2  0  0  0
   -5.4100    1.5671    0.0000 O   0  0
   -3.0100    2.8100    0.0000 C   0  0
   -1.5600    2.3300    0.0000 C   0  0  1  0  0  0
    0.0000    2.8600    0.0000 C   0  0  1  0  0  0
    1.1178    1.8598    0.0000 O   0  0
    0.3300    4.3600    0.0000 C   0  0
    2.3100    4.3400    0.0000 C   0  0
    2.6310    5.8738    0.0000 C   0  0
    2.2348    4.4271    0.0000 O   0  0
    4.1100    2.4200    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 13 12  1  1
 13  8  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23432

> <plate>
PLATE 001

> <well>
E9

> <supplier_cmpd_name>
Brefeldin A

> <ctcr_id>
7964

> <supplier_cmpd_id>
.

> <smiles>
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)\C=C\C(=O)O1

> <pd_targets>
{NR0B1,THRB,PRNP,TGR,KMT2A,MEN1}

> <pathway_gtopdb>
{"Transcription factor","Surface antigen",Enzyme,"Epigenetic regulator","Nuclear receptor",Reader,"Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1",Bromodomain,"Nuclear hor
mone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","0B. DAX-like receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","Developmental Biology","RNA Polymerase II Transcription","Post-translational protein modification","Nervous system development","Generic Tr
anscription Pathway",SUMOylation,"Axon guidance","Nuclear Receptor transcription pathway","SUMO E3 ligases SUMOylate target proteins","NCAM signaling for neurite out-growth","SUMOylation of intracellu
lar receptors","NCAM1 interactions"}

> <broad_targets>
{ARF1,CYTH2}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{"brefeldin A",Cyanein,Decumbin,NSC56310,NSC89671,20350-15-6,20350156,SMR001565520,MLS002701937,MLS002702862,NSC107456,NSC244390,"B 174987","(+)-4-epi-Brefeldin A","(+)4epiBrefeldin A",SCHEMBL4345242,
CHEMBL1734306,60132-23-2,60132232,BFA,CP-0070,CP0070,J3.554.023G}

> <pdid>
PD003694

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5351204}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 54 60  0  0  1  0            999 V2000
    6.4972   -0.7364    0.0000 C   0  0  1  0  0  0
    6.4920    0.7636    0.0000 C   0  0  1  0  0  0
    5.1903    1.5091    0.0000 C   0  0  2  0  0  0
    3.8939    0.7546    0.0000 C   0  0  1  0  0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    5.2007   -1.4909    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    2.6015   -2.9986    0.0000 C   0  0  1  0  0  0
    3.9027   -3.7449    0.0000 C   0  0
    3.9070   -5.2449    0.0000 C   0  0
    2.6101   -5.9986    0.0000 C   0  0  1  0  0  0
    1.3089   -5.2523    0.0000 C   0  0  2  0  0  0
    1.3046   -3.7523    0.0000 C   0  0
    0.0259   -4.5364    0.0000 C   0  0
    1.3356   -2.2526    0.0000 C   0  0
    0.0120   -6.0060    0.0000 C   0  0
    0.0163   -7.5060    0.0000 C   0  0
    1.3175   -8.2523    0.0000 C   0  0  1  0  0  0
    1.3217   -9.7523    0.0000 C   0  0  2  0  0  0
    0.0248  -10.5060    0.0000 C   0  0
    0.0291  -12.0060    0.0000 C   0  0
    1.3303  -12.7522    0.0000 C   0  0  1  0  0  0
    1.3346  -14.2522    0.0000 C   0  0
    2.6357  -14.9985    0.0000 C   0  0
    3.9326  -14.2448    0.0000 C   0  0
    3.9283  -12.7448    0.0000 C   0  0
    2.6272  -11.9985    0.0000 C   0  0  1  0  0  0
    2.6229  -10.4985    0.0000 C   0  0
    3.9198   -9.7449    0.0000 C   0  0
    3.9155   -8.2449    0.0000 C   0  0
    2.6144   -7.4986    0.0000 C   0  0  2  0  0  0
    3.9015  -15.7445    0.0000 C   0  0
    5.2115  -13.4609    0.0000 C   0  0
    2.6322  -13.4989    0.0000 C   0  0
    3.4971  -12.9970    0.0000 O   0  0
    2.6347  -14.4989    0.0000 O   0  0
    0.4543   -9.2547    0.0000 C   0  0
    0.4529   -8.7547    0.0000 C   0  0
    3.9112   -6.7449    0.0000 C   0  0
    2.5923    1.5001    0.0000 O   0  0
    5.1882    3.0099    0.0000 O   0  0
    6.4865    3.7630    0.0000 C   0  0  2  0  0  0
    6.4865    5.2630    0.0000 C   0  0  2  0  0  0
    7.7856    6.0130    0.0000 C   0  0  1  0  0  0
    9.0846    5.2630    0.0000 C   0  0  2  0  0  0
    9.0846    3.7630    0.0000 C   0  0
    7.7856    3.0130    0.0000 O   0  0
   10.3837    6.0130    0.0000 O   0  0
    7.7856    7.5130    0.0000 O   0  0
    5.1875    6.0130    0.0000 O   0  0
    7.7884    1.5181    0.0000 O   0  0
    7.8010   -1.4797    0.0000 C   0  0
    9.0964   -0.7233    0.0000 O   0  0
    7.8088   -2.9796    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  0
 13 15  1  0
 12 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 27 26  1  6
 27 22  1  0
 27 28  1  0
 28 19  1  0
 28 29  2  3
 29 30  1  0
 31 30  1  1
 31 11  1  0
 31 18  1  0
 25 32  1  0
 25 33  1  0
 22 34  1  1
 34 35  2  0
 34 36  1  0
 19 37  1  6
 18 38  1  1
 11 39  1  1
  4 40  1  1
  3 41  1  6
 42 41  1  6
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 42  1  0
 45 48  1  1
 44 49  1  6
 43 50  1  1
  2 51  1  1
  1 52  1  6
 52 53  2  0
 52 54  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23433

> <plate>
PLATE 001

> <well>
E10

> <supplier_cmpd_name>
Momordin Ic

> <ctcr_id>
11874

> <supplier_cmpd_id>
.

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@]1([C@@]3(CC[C@]4(CCC(C[C@H]4C3=CC[C@H]21)(C)C)C(=O)O)C)C)C)O)O[C@@H]1[C@H]([C@@H]([C@H](CO1)O)O)O)O)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T3410,"Momordin Ic"}

> <pdid>
PD056616

> <targets>
{MAPK,PI3K}

> <classes>
{MAPK,"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{132399071}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 32 37  0  0  1  0            999 V2000
    4.5778    2.2976    0.0000 C   0  0
    5.0938    1.4410    0.0000 C   0  0
    6.5935    1.4694    0.0000 O   0  0
    4.3672    0.1278    0.0000 O   0  0
    2.8700    0.1000    0.0000 C   0  0  2  0  0  0
    1.9700    1.2900    0.0000 C   0  0  1  0  0  0
    0.4900    0.8100    0.0000 C   0  0  1  0  0  0
   -0.7700    1.5700    0.0000 C   0  0
   -2.0400    0.8500    0.0000 C   0  0
   -2.1000   -0.6500    0.0000 C   0  0  1  0  0  0
   -0.7700   -1.4300    0.0000 C   0  0  2  0  0  0
    0.5200   -0.6300    0.0000 C   0  0  1  0  0  0
    1.9300   -1.1700    0.0000 C   0  0  2  0  0  0
    0.8300   -2.1400    0.0000 O   0  0
   -0.7500   -2.9800    0.0000 C   0  0
   -2.1000   -3.7900    0.0000 C   0  0
   -3.4200   -2.9800    0.0000 C   0  0  1  0  0  0
   -3.4400   -1.4500    0.0000 C   0  0  2  0  0  0
   -4.7900   -0.6500    0.0000 C   0  0
   -6.1600   -1.4700    0.0000 C   0  0
   -6.1100   -3.0200    0.0000 C   0  0  1  0  0  0
   -4.7600   -3.8100    0.0000 C   0  0
   -7.3990   -3.7871    0.0000 O   0  0
   -3.4424    0.0500    0.0000 C   0  0
    0.6615    2.3002    0.0000 C   0  0
    2.4204    2.7216    0.0000 C   0  0
    1.4860    3.8893    0.0000 C   0  0
    2.0325    5.2862    0.0000 O   0  0
    3.5155    5.5114    0.0000 C   0  0
    4.0620    6.9083    0.0000 O   0  0
    4.4520    4.3396    0.0000 C   0  0
    3.9056    2.9427    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  1  0
 13  5  1  0
 13 14  1  1
 12 14  1  1
 11 15  1  6
 15 16  1  0
 17 16  1  6
 17 18  1  0
 18 10  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 21 23  1  1
 18 24  1  1
  7 25  1  1
  6 26  1  1
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23434

> <plate>
PLATE 001

> <well>
E11

> <supplier_cmpd_name>
Cinobufagin

> <ctcr_id>
11480

> <supplier_cmpd_id>
.

> <smiles>
CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@]42[C@@H]1O4)CC[C@H]1[C@@]3(CC[C@@H](C1)O)C)C)c1coc(=O)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Cinobufagin,470-37-1,470371,Cinobufagine,Cino-bufagin,UNII-T9PSN4R8IR,UNIIT9PSN4R8IR,T9PSN4R8IR,CHEBI:80805,C26H34O6,NSC90325,MFCD00056825,"NSC 90325",SCHEMBL642990,CHEMBL250785,AMY40639,HY-N0421,HYN
0421,ZINC4215351,8074AH,NSC-90325,s3224,CCG-208337,CCG208337,CS-3697,CS3697,C3460,N1154,C16,T3432}

> <pdid>
PD011959

> <targets>
{Na+/K+-ATPase,Apoptosis,Autophagy}

> <classes>
{Membrane transporter/Ion channel,Apoptosis,Autophagy}

> <pubchem_cids>
{11969542}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 22 25  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.3253    1.1905    0.0000 N   0  0
   -6.1992   -0.0286    0.0000 C   0  0
   -5.3098   -1.2365    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -4.0409   -2.2431    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.8043    2.6128    0.0000 C   0  0
   -4.8986    3.8026    0.0000 C   0  0
   -5.4788    5.1858    0.0000 C   0  0
   -6.9669    5.3750    0.0000 C   0  0
   -7.8747    4.1809    0.0000 C   0  0
   -7.2945    2.7977    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  1  1
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15  5  1  0
 15 16  2  0
 16  2  1  0
  8 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23435

> <plate>
PLATE 001

> <well>
F2

> <supplier_cmpd_name>
(-)-Blebbistatin

> <ctcr_id>
7354

> <supplier_cmpd_id>
.

> <smiles>
Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccccc4

> <pd_targets>
{KMT2A,MEN1,CYP3A4,CYP2C9,CYP2D6,CYP2C19,MAPT,RORC,CYP1A2}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain,Enzyme,"Other cytosolic protein","Transcription factor","Cytochrome P450","Nuclear receptor","Cytochrome P450 family 3","Cytochrome P450 family 2","Nuclear h
ormone receptor subfamily 1","Cytochrome P450 family 1","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F","Cytochrome P
450 family 1A","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 2D6","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Nuclear hormone receptors","CYP3 family","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","CYP1 family"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Gene expression (Transcription)","Metabolism of lipids","Biological oxidations","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Biosynthesis o
f specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Biosynthesis 
of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Biosynthesis of maresins",Xenobiotics,
"Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Aromatic a
mines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{)BLEBBISTATI,(-)-Blebbistatin,()Blebbistatin,856925-71-8,856925718,(S)-(-)-Blebbistatin,(S)()Blebbistatin,(S)-blebbistatin,(S)blebbistatin,UNII-8WII7624I5,UNII8WII7624I5,CHEBI:75388,8WII7624I5,MFCD08
460907,"Blebbistatin, (-)-","Blebbistatin, ()",(&minus;)-Blebbistatin,(&minus;)Blebbistatin,"Blebbistatin (S)-form (MI)","Blebbistatin (S)form (MI)",(-)Blebbistatin,blebbistatin-(-),blebbistatin(),(?)
-Blebbista,(?)Blebbista,S7099}

> <pdid>
PD003595

> <targets>
{ATPase}

> <classes>
{}

> <pubchem_cids>
{5287792}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 34 38  0  0  0  0            999 V2000
   12.1926   -2.5190    0.0000 C   0  0
   11.8044   -1.0701    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
   10.7437   -2.9072    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 O   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -0.7481   -4.2096    0.0000 C   0  0
    0.7519   -4.2072    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -5.1977    2.9828    0.0000 C   0  0
   -5.1903    1.4820    0.0000 N   0  0
   -6.4841    0.7230    0.0000 C   0  0
   -6.4738   -0.7770    0.0000 C   0  0
   -5.1696   -1.5180    0.0000 O   0  0
   -3.8757   -0.7590    0.0000 C   0  0
   -3.8861    0.7409    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  1  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 18  1  0
 14 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23436

> <plate>
PLATE 001

> <well>
F3

> <supplier_cmpd_name>
MRT67307

> <ctcr_id>
11875

> <supplier_cmpd_id>
.

> <smiles>
C1CC(C1)C(=O)NCCCNc1nc(ncc1C1CC1)Nc1cccc(c1)CN1CCOCC1

> <pd_targets>
{ULK1,PDK1,ULK2,TBK1,IKBKE}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Atypical protein kinase group","Other protein kinase ULK family","Atypical protein kinase PDHK subfamily","Other protein kinase IKK family
"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases",Atypical,"Other protein kinases","PDHK family","Unc-51-like kinase (ULK) family","IKK family"}

> <pathway_reactome>
{Autophagy,Metabolism,"Immune System",Macroautophagy,"The citric acid (TCA) cycle and respiratory electron transport","Innate Immune System","Selective autophagy","Pyruvate metabolism and Citric Acid 
(TCA) cycle","Toll-like Receptor Cascades",Mitophagy,"Pyruvate metabolism","Toll Like Receptor 4 (TLR4) Cascade","Receptor Mediated Mitophagy","Regulation of pyruvate dehydrogenase (PDH) complex","MyD
88-independent TLR4 cascade","TRIF(TICAM1)-mediated TLR4 signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MRT67307,1190378-57-4,1190378574,MRT-67307,UNII-MEY37JZ4XR,UNIIMEY37JZ4XR,MEY37JZ4XR,CHEMBL3605057,1FV,"MRT67307 hydrochloride",GTPL8062,SCHEMBL13431845,DTXSID40659192,CHEBI:124930,HMS3673C11,BCP1409
7,EX-A2799,EXA2799,3870AH,BDBM50111572,"MRT 67307",ZINC95641943,CS-0249,CS0249,NCGC00378,T0097}

> <pdid>
PD003208

> <targets>
{IKK?,TBK1,ULK1,ULK2}

> <classes>
{NF-¦ªb}

> <pubchem_cids>
{44464263}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

  7  5  0  0  0  0            999 V2000
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  5
    3.8993    0.7496    0.0000 Cl  0  0
    2.6000   -1.5000    0.0000 Cl  0  0
    6.4000    0.3750    0.0000 Na  0  3
  1  2  1  0
  2  3  2  0
  2  4  1  0
  1  5  1  0
  1  6  1  0
M  CHG  2   4  -1   7   1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23437

> <plate>
PLATE 001

> <well>
F4

> <supplier_cmpd_name>
Sodium Dichloroacetate

> <ctcr_id>
11768

> <supplier_cmpd_id>
.

> <smiles>
C(C(=O)[O-])(Cl)Cl.[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sodium dichloroacetate",2156-56-1,2156561,"sodium 2,2-dichloroacetate","sodium 2,2dichloroacetate","Dichloroacetic acid sodium salt","ACETIC ACID, DICHLORO-, SODIUM SALT","ACETIC ACID, DICHLORO, SOD
IUM SALT",Ceresine,DCA,MFCD00070489,CPC-211,CPC211,"Sodium dichloroacetate (USAN)",UNII-42932X67B5,UNII42932X67B5,NCGC00167845-0,NCGC001678450,T3604,Sodium Dichloroacetate,"Sodium Dichloroacetate"}

> <pdid>

> <targets>
{PDK,Apoptosis,NKCC,PDHK,Reactive Oxygen Species}

> <classes>
{PI3K/Akt/mTOR signaling,Apoptosis,Immunology/Inflammation,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{517326}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 19 20  0  0  0  0            999 V2000
    2.4039    2.6949    0.0000 C   0  0
    3.8955    2.8526    0.0000 C   0  0
    4.5043    4.2235    0.0000 O   0  0
    4.7781    1.6387    0.0000 N   0  0
    4.1701    0.2694    0.0000 C   0  0
    4.9186   -1.0304    0.0000 N   0  0
    3.9137   -2.1441    0.0000 N   0  0
    2.5991   -1.5008    0.0000 C   0  0
    2.7025   -0.0408    0.0000 S   0  0
    2.5959   -3.0008    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.1938   -3.6157    0.0000 C   0  0
    5.6098   -4.1107    0.0000 O   0  0
    3.0574   -4.5948    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  8 10  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  7 17  1  0
 17 18  2  0
 17 19  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23438

> <plate>
PLATE 001

> <well>
F5

> <supplier_cmpd_name>
K858

> <ctcr_id>
11613

> <supplier_cmpd_id>
.

> <smiles>
CC(=O)NC1=NN(C(S1)(C)c1ccccc1)C(=O)C

> <pd_targets>
{TDP1,KIF11,POLB,LMNA,RECQL,BCHE,BLM,APEX1,L3MBTL1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Other nuclear protein","Epigenetic regulator",Hydrolase,Reader,"Methyl-lysine/arginine binding protein","MBT domain"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Kinesins,"Acetylcholine turnover"}

> <pathway_reactome>
{"DNA Repair","Vesicle-mediated transport","Cell Cycle",Metabolism,"Gene expression (Transcription)","DNA Double-Strand Break Repair","Membrane Trafficking","Base Excision Repair",Mitotic,"Metabolism 
of lipids","RNA Polymerase II Transcription","Nonhomologous End-Joining (NHEJ)","Intra-Golgi and retrograde Golgi-to-ER traffic","Resolution of Abasic Sites (AP sites)","M Phase","Phospholipid metabol
ism","Homology Directed Repair","Generic Transcription Pathway","Golgi-to-ER retrograde transport","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Mitotic Metaphase and
 Anaphase","Glycerophospholipid biosynthesis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","COPI-dependent Golgi-to-ER retrograde 
traffic","PCNA-Dependent Long Patch Base Excision Repair","Mitotic Anaphase","Synthesis of PC","HDR through Homologous Recombination (HRR)","Regulation of TP53 Activity","Nuclear Envelope (NE) Reassem
bly","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Activity through Methylation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and s
trand exchange"}

> <broad_targets>
{KIF11}

> <broad_moa>
{"kinesin-like spindle protein inhibitor"}

> <synonyms>
{Q27166285,Z56758544,72926-24-0,72926240,"K 858",k-858,k858,K858,"K858 (Racemic)","N-(4-acetyl-5-methyl-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide","N(4acetyl5methyl5phenyl4,5dihydro1,3,4thi
adiazol2yl)acetamide",CHEMBL1413473,"N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide","N(4acetyl5methyl5phenyl1,3,4thiadiazol2yl)acetamide",N-(4-Acetyl-4,N(4Acetyl4,5-dihydro-5-me,5dihyd
ro5me,T3120}

> <pdid>
PD021659

> <targets>
{"Eg5 ATPase"}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{2930014}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 11 11  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0000    3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  6
  7  8  1  0
  4  9  1  1
  3 10  1  6
  2 11  1  1
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23439

> <plate>
PLATE 001

> <well>
F6

> <supplier_cmpd_name>
1-Deoxynojirimycin

> <ctcr_id>
11876

> <supplier_cmpd_id>
.

> <smiles>
C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O

> <pd_targets>
{MGAM2,KLRB1A,TREH,SI,LCT,CBG-1,FUCA1,AGL,GANAB,GAA,MGAM,GLB1,TRES,BGLA,GBA,MAL12,GLA,GBA2,GBA3,LOX,GANC,MAN1,THRB,ALOX15,ALDH1A1,CYP2C19,LEF,KMT2A,MEN1,LACZ,AGLC,PYGL,PYGM,MAN2A1,SGA1,MAL62,MAN2C1,MA
NBA,MAN1B1}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,Hydrolase,Oxidoreductase,"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone
 receptor subfamily 1 group A member 2","Epigenetic regulator","Cytochrome P450",Protease,Reader,"Cytochrome P450 family 2","Metallo protease",Bromodomain,"Cytochrome P450 family 2C","Metallo protease
 MAE clan","Cytochrome P450 2C19","Metallo protease M34 family",Transferase}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases","1.4.3.13 Lysyl oxidases",Receptors,"Nuclear hormone receptors","1A. Thyroid hormone receptors","Eicosanoid turnover","Cytochrome P450",Lipoxygenases,"CYP2 family: drug
 metabolising subset"}

> <pathway_reactome>
{Disease,"Metabolism of proteins",Metabolism,"Digestion and absorption","Extracellular matrix organization","Diseases of metabolism","Post-translational protein modification","Metabolism of carbohydra
tes","Infectious disease",Digestion,"Metabolism of lipids","Collagen formation","Diseases of carbohydrate metabolism","Asparagine N-linked glycosylation","Glycogen metabolism","SARS-CoV Infections","D
igestion of dietary carbohydrate","Sphingolipid metabolism","Assembly of collagen fibrils and other multimeric structures","Intestinal saccharidase deficiencies","Transport to the Golgi and subsequent
 modification","Glycogen breakdown (glycogenolysis)","SARS-CoV-1 Infection","Glycogen storage diseases","Glycosphingolipid metabolism","Crosslinking of collagen fibrils","N-glycan antennae elongation 
in the medial/trans-Golgi","Translation of structural proteins","Glycogen storage disease type II (GAA)","Reactions specific to the complex N-glycan synthesis pathway","Maturation of spike protein",SU
MOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular receptors","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functional
ization of compounds","Uptake and actions of bacterial toxins","Biosynthesis of DPA-derived SPMs","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Uptake and function of anthrax tox
ins","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Biosynthesis of DPAn-3-derived protectins and resolvins","CYP2E1 reactions","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosacchari
de","LLO) and transfer to a nascent protein","Synthesis of substrates in N-glycan biosythesis","Sialic acid metabolism","SARS-CoV-2 Infection","Immune System","Innate Immune System","Neutrophil degran
ulation"}

> <broad_targets>
{MAN2A1}

> <broad_moa>
{"alpha mannosidase inhibitor"}

> <synonyms>
{DEOXYNOJIRIMYCI,1-DEOXYNOJIRIMYCIN,1DEOXYNOJIRIMYCIN,19130-96-2,19130962,DUVOGLUSTAT,Moranoline,deoxynojirimycin,"(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol","(2R,3R,4R,5S)2(hydroxymethyl)
piperidine3,4,5triol","1,5-Deoxy-1,5-imino-D-mannitol","1,5Deoxy1,5iminoDmannitol",Moranolin,"1,5-Dideoxy-1,5-imino-D-glucitol","1,5Dideoxy1,5iminoDglucitol",UNII-FZ56898FLE,UNIIFZ56898FLE,C6H13NO4,D-
1-deo,D1deo,T3675,1-Deoxynojirimycin}

> <pdid>
PD007012

> <targets>
{¦Â-glycosidase}

> <classes>
{Others}

> <pubchem_cids>
{29435}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 18 20  0  0  0  0            999 V2000
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
    0.0000    3.0000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 11 18  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23440

> <plate>
PLATE 001

> <well>
F7

> <supplier_cmpd_name>
NU2058

> <ctcr_id>
11617

> <supplier_cmpd_id>
.

> <smiles>
C1CCC(CC1)COc1nc(nc2c1[nH]cn2)N

> <pd_targets>
{CDK5,CCNB1,CDK1,CCNA1,CCNA2,CDK2,CCNB2,CCNB3,AMPC,DYRK1A,MAPK3,MAP3K5,CLK1}

> <pathway_gtopdb>
{Enzyme,Kinase,Hydrolase,"Protein Kinase","CMGC protein kinase group","STE protein kinase group","CMGC protein kinase CDK family","CMGC protein kinase DYRK family","CMGC protein kinase MAPK family","S
TE protein kinase STE11 family","CMGC protein kinase CLK family","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase ER
K1"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Cyclin-dependent kinase (CDK) family","Dual-specif
icity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Mitogen-activated protein kinases (MAP kinases)","STE11 family","CLK family","CDK5 subfamily","CDK1 subfamily","Dyrk1 subfamily","ER
K subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","Immune System","Cellular responses to external stimuli","RNA Polymerase II Transcription",Mitotic,"Innate Immune System","Cellular responses to stress"
,"Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","Regulation of mitotic cell cycle","Toll-like Receptor Cascades","Cellular Senescence","Transcriptional Regulation by TP53","G0 
and Early G1","APC/C-mediated degradation of cell cycle proteins","Toll Like Receptor 5 (TLR5) Cascade","Oxidative Stress Induced Senescence","Regulation of TP53 Activity","Activation of APC/C and APC
/C:Cdc20 mediated degradation of mitotic proteins","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity through Phosphorylation","Regulation of TP53 Expression and Degradation","A
PC/C:Cdc20 mediated degradation of mitotic proteins","MAP kinase activation","Regulation of TP53 Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cy
cle checkpoint","MAPK targets/ Nuclear events mediated by MAP kinases","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CCNA2,CDK2}

> <broad_moa>
{"cyclin D inhibitor"}

> <synonyms>
{nu2058,161058-83-9,161058839,"6-O-CYCLOHEXYLMETHYL GUANINE","6OCYCLOHEXYLMETHYL GUANINE",6-(cyclohexylmethoxy)-9H-purin-2-amine,6(cyclohexylmethoxy)9Hpurin2amine,2-amino-6-((cyclohexylmethyl)oxy)puri
ne,2amino6((cyclohexylmethyl)oxy)purine,NU-2058,NU2058,"NU 2058","9H-Purin-2-amine, 6-(cyclohexylmethoxy)-","9HPurin2amine, 6(cyclohexylmethoxy)",O6-Cyclohexylmethylguanine,O6Cyclohexylmethylguanine,C
HEMBL269881,MFCD05664734,2-ami,2ami,T3186}

> <pdid>
PD008359

> <targets>
{CDK1,CDK2,"Topo II"}

> <classes>
{"Cell Cycle/Checkpoint","DNA Damage/DNA Repair"}

> <pubchem_cids>
{4564}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 46 51  0  0  0  0            999 V2000
   -5.3122    5.9924    0.0000 C   0  0
   -4.8032    4.5814    0.0000 C   0  0
   -3.3267    4.3171    0.0000 C   0  0
   -5.7705    3.4338    0.0000 C   0  0
   -5.2613    2.0221    0.0000 C   0  0
   -6.2286    0.8745    0.0000 C   0  0
   -5.7600   -0.5300    0.0000 C   0  0
   -7.0425   -1.3079    0.0000 C   0  0
   -4.5500    0.1600    0.0000 O   0  0
   -3.3300   -0.5300    0.0000 C   0  0
   -2.1100    0.1600    0.0000 C   0  0
   -2.1069    1.6620    0.0000 C   0  0
   -0.8061    2.4106    0.0000 C   0  0
   -0.8030    3.9114    0.0000 C   0  0
    0.4971    4.6595    0.0000 C   0  0
   -2.1007    4.6637    0.0000 C   0  0
   -0.8900   -0.5300    0.0000 C   0  0
    0.3100    0.1600    0.0000 O   0  0
    1.5500   -0.5300    0.0000 C   0  0
    2.4500    0.5000    0.0000 C   0  0
    3.3200   -0.7100    0.0000 C   0  0
    3.8000   -3.2800    0.0000 C   0  0
    2.4200   -3.0200    0.0000 C   0  0
    1.5700   -1.9700    0.0000 C   0  0
    0.3100   -2.6400    0.0000 C   0  0
    0.2805   -4.1397    0.0000 O   0  0
   -0.8900   -1.9400    0.0000 C   0  0
   -2.1100   -2.6400    0.0000 C   0  0
   -2.1100   -4.1400    0.0000 O   0  0
   -3.3300   -1.9400    0.0000 C   0  0
   -4.5500   -2.6400    0.0000 C   0  0
   -5.7600   -1.9400    0.0000 C   0  0
    5.0100   -2.5900    0.0000 C   0  0
    6.1510   -3.5638    0.0000 O   0  0
    5.5000   -1.2900    0.0000 C   0  0
    5.9277    0.1750    0.0000 C   0  0
    7.3752    0.5714    0.0000 C   0  0
    8.4430   -0.4833    0.0000 C   0  0
    9.8893   -0.0858    0.0000 C   0  0
    8.0643   -1.9356    0.0000 C   0  0
    6.6180   -2.3332    0.0000 O   0  0
    9.1315   -2.9898    0.0000 O   0  0
    5.0300    0.0000    0.0000 O   0  0
    3.8300    0.7200    0.0000 C   0  0
    2.6594    1.6579    0.0000 C   0  0
    5.2660    1.1535    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 14 16  1  0
 11 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  3
 24 19  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 17  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 10  1  0
 30 31  1  0
 31 32  2  3
 32  7  1  0
 22 33  1  0
 33 34  2  0
 33 35  1  0
 35 19  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  2  0
 35 43  1  0
 43 44  1  0
 44 20  1  0
 44 45  1  0
 44 46  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23441

> <plate>
PLATE 001

> <well>
F8

> <supplier_cmpd_name>
Gambogic Acid

> <ctcr_id>
3842

> <supplier_cmpd_id>
.

> <smiles>
CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C6CC(C=C4C(=O)c3c(O)c2C=C1)C(=O)C5(C\C=C(\C)C(O)=O)OC6(C)C

> <pd_targets>
{TP53,HSD17B10,MAPT,RORC,FTL,ALOX15,MAPK1,CYP3A4,KDM4E,HPGD,BLM,PTPN1,MCL1,RGS17,TXN,IKBKB,HSP90AA1,TXN2,HSP90AB1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other cytosolic protein","Unclassified protein","Epigenetic regulator",Oxidoreductase,"Nuclear receptor",Protease,Kinase,"Cytochrome P450",Eraser,Phosphatase,"Nuclear h
ormone receptor subfamily 1","Cysteine protease","Protein Kinase","Cytochrome P450 family 3","Lysine demethylase","Protein Phosphatase","Nuclear hormone receptor subfamily 1 group F","Cysteine proteas
e CA clan","CMGC protein kinase group","Cytochrome P450 family 3A","Jumonji domain-containing","Tyrosine protein phosphatase","Other protein kinase group","Nuclear hormone receptor subfamily 1 group F
 member 3","Cysteine protease C1A family","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Other protein kinase IKK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","Chromatin modifying enzymes",Phosphatases,"B-cell lymphoma 2 (Bcl
-2) protein family","Regulators of G protein Signaling (RGS) proteins","Catalytic receptors","Heat shock proteins","1F. Retinoic acid-related orphans",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"C
LK families","CYP3 family","1.14.11.- Histone demethylases","Prostaglandin synthases","Protein tyrosine phosphatases non-receptor type (PTPN)","RZ family","Receptor kinases","Mitogen-activated protein
 kinases (MAP kinases)","Other protein kinases","ERK subfamily","IKK family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Neuronal System","Gene expression (Transcription)","Vesicle-mediated transport","Immune System","DNA Repair","Signal Transduction",Disease,"Cell Cycle Checkpoints","Metabolis
m of amino acids and derivatives","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Membrane Trafficking","Metabolism of lipids","Innate Immune System","DNA Double-Strand Brea
k Repair","Cytokine Signaling in Immune system","Signaling by GPCR","Infectious disease",Mitotic,"G1/S DNA Damage Checkpoints","Branched-chain amino acid catabolism","Neurotransmitter receptors and po
stsynaptic signal transmission","Generic Transcription Pathway","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Homolog
y Directed Repair","Signaling by Interleukins","GPCR downstream signalling","Leishmania infection","Mitotic G2-G2/M phases","Sulfur amino acid metabolism","p53-Dependent G1/S DNA damage checkpoint","A
ctivation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Golgi Associated Vesicle Biogenesis","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade
","Biosynthesis of DHA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by MECP2","Interleukin-4 and Interleukin-13 signaling","G
 alpha (i) signalling events","Cell recruitment (pro-inflammatory response)","Toll Like Receptor 4 (TLR4) Cascade","G2/M Transition","Degradation of cysteine and homocysteine","p53-Dependent G1 DNA Da
mage Response","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of m
aresins","Biosynthesis of D-series resolvins","HDR through Homologous Recombination (HRR)","MECP2 regulates neuronal receptors and channels","Purinergic signaling in leishmaniasis infection","MyD88-in
dependent TLR4 cascade","Centrosome maturation","Stabilization of p53","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","Bios
ynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","TRIF(TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase microtubule organization from the centrosom
e","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","IKK complex recruitment m
ediated by RIP1","Loss of Nlp from mitotic centrosomes","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BCL2}

> <broad_moa>
{"caspase activator"}

> <synonyms>
{"Guttatic acid","Cambogic acid","Guttic acid",2752-65-0,2752650,b-Guttilactone,bGuttilactone,b-Guttiferin,bGuttiferin,"a-Gambogic acid","aGambogic acid",Beta-Guttiferrin,BetaGuttiferrin,B-Guttiferrin
,BGuttiferrin,Beta-Guttilactone,BetaGuttilactone,Spectrum5_000681,Spectrum5000681,Spectrum5-000681,"Spectrum5 000681",BSPBio_002493,BSPBio002493,BSPBio-002493,"BSPBio 002493",SPECTRUM200007,CHEMBL1477
081,SCHEMBL13613,T6185,200007,"Gambogic Acid","GAMBOGIC ACID"}

> <pdid>
PD002244

> <targets>
{Autophagy,Bcl-2 Family}

> <classes>
{cytotoxic,antiinflammatory,inhibits HeLa cells in vitro,LD50(rat) 88 mg/kg ip,Apoptosis,Autophagy}

> <pubchem_cids>
{5353639}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 53 56  0  0  1  0            999 V2000
    2.6044   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.4419    5.7517    0.0000 O   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0  1  0  0  0
   -1.3119    8.2497    0.0000 O   0  0
   -1.3120    9.7497    0.0000 C   0  0
   -0.0107   10.4975    0.0000 O   0  0
    1.2880    9.7453    0.0000 C   0  0
    2.5894   10.4937    0.0000 C   0  0
    2.5918   11.4937    0.0000 O   0  0
    2.5003    8.9254    0.0000 O   0  0
    2.0345    7.4995    0.0000 C   0  0  1  0  0  0
    0.5346    7.5018    0.0000 C   0  0  2  0  0  0
    0.0732    8.9291    0.0000 C   0  0  2  0  0  0
   -0.8717    9.2563    0.0000 O   0  0
   -0.0545    6.6937    0.0000 O   0  0
    2.9158    6.2878    0.0000 C   0  0
    4.4076    6.4445    0.0000 O   0  0
   -2.6110   10.4997    0.0000 C   0  0  1  0  0  0
   -3.9100    9.7496    0.0000 C   0  0  2  0  0  0
   -3.9100    8.2496    0.0000 C   0  0  2  0  0  0
   -5.2090    7.4996    0.0000 O   0  0
   -5.1903    8.9680    0.0000 O   0  0
   -4.3820   11.1528    0.0000 C   0  0
   -5.8593   11.4131    0.0000 O   0  0
   -3.4178   12.3030    0.0000 C   0  0
   -3.9309   13.7134    0.0000 C   0  0
   -2.9667   14.8635    0.0000 C   0  0
   -3.4774   16.2739    0.0000 C   0  0
   -2.5114   17.4215    0.0000 C   0  0
   -3.0254   18.8315    0.0000 O   0  0
   -4.5026   19.0922    0.0000 C   0  0
   -1.0346   17.1586    0.0000 C   0  0
   -0.5238   15.7483    0.0000 C   0  0
   -1.4898   14.6008    0.0000 C   0  0
    0.9533   15.4823    0.0000 O   0  0
    1.2925   14.5416    0.0000 C   0  0
   -0.0686   18.3062    0.0000 O   0  0
   -2.6110   11.4997    0.0000 O   0  0
   -3.9056    5.2465    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  1  6
 20 23  1  1
 19 24  1  6
 24 25  1  0
 13 26  1  0
 26 27  1  0
 27 28  1  0
 28 11  1  0
 28 29  1  1
 27 30  1  6
 27 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 37 40  2  0
 40 41  1  0
 41 42  2  0
 42 35  1  0
 41 43  1  0
 43 44  1  0
 40 45  1  0
 26 46  1  1
 10 47  1  0
  5 48  2  0
 48 49  1  0
 49 50  2  0
 50  3  1  0
 50 51  1  0
 49 52  1  0
 52 53  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23442

> <plate>
PLATE 001

> <well>
F9

> <supplier_cmpd_name>
3,6'-Disinapoyl sucrose

> <ctcr_id>
11877

> <supplier_cmpd_id>
.

> <smiles>
COc1cc(/C=C/C(=O)C([C@H]2OC(OC3(CO)O[C@@H]([C@H]([C@@H]3O)O)CO)[C@@H]([C@]([C@@H]2O)(O)C(=O)/C=C/c2cc(OC)c(c(c2)OC)O)O)O)cc(c1O)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"3,6'-D ISINAPOYL SUCROSE","3,6'D ISINAPOYL SUCROSE",T3697,"3,6'-Disinapoyl sucrose"}

> <pdid>
PD098982

> <targets>
{Bcl-2,CREB}

> <classes>
{Apoptosis,Chromatin/Epigenetic}

> <pubchem_cids>
{90469955}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 55 60  0  0  1  0            999 V2000
  -15.5366   -8.4578    0.0000 O   0  0
  -17.0256   -8.6392    0.0000 C   0  0  1  0  0  0
  -17.9271   -7.4403    0.0000 C   0  0  2  0  0  0
  -17.3396   -6.0601    0.0000 C   0  0  1  0  0  0
  -15.8506   -5.8788    0.0000 C   0  0  2  0  0  0
  -14.9490   -7.0777    0.0000 C   0  0  2  0  0  0
  -13.6125   -6.3949    0.0000 O   0  0
  -13.5345   -4.8961    0.0000 C   0  0  1  0  0  0
  -14.7945   -4.0823    0.0000 C   0  0
  -14.7197   -2.5841    0.0000 C   0  0
  -13.3849   -1.8999    0.0000 C   0  0  1  0  0  0
  -12.1248   -2.7137    0.0000 C   0  0  2  0  0  0
  -12.1997   -4.2119    0.0000 C   0  0
  -10.8814   -3.4963    0.0000 C   0  0
  -12.3097   -5.7078    0.0000 C   0  0
  -10.7900   -2.0295    0.0000 C   0  0
  -10.7152   -0.5313    0.0000 C   0  0
  -11.9752    0.2825    0.0000 C   0  0  1  0  0  0
  -11.9004    1.7807    0.0000 C   0  0  2  0  0  0
  -10.7253    2.7034    0.0000 C   0  0
  -11.2573    4.1059    0.0000 C   0  0
  -12.7555    4.0333    0.0000 C   0  0  1  0  0  0
  -13.1604    2.5945    0.0000 C   0  0  1  0  0  0
  -14.4952    1.9103    0.0000 C   0  0  1  0  0  0
  -14.5700    0.4121    0.0000 C   0  0
  -13.3100   -0.4017    0.0000 C   0  0  2  0  0  0
  -15.7552    2.7241    0.0000 O   0  0
  -13.6898    5.2047    0.0000 C   0  0  2  0  0  0
  -12.2066    5.4288    0.0000 C   0  0
  -15.1743    4.9836    0.0000 C   0  0
  -15.7259    3.5878    0.0000 C   0  0
  -17.2103    3.3667    0.0000 C   0  0
  -17.7619    1.9710    0.0000 C   0  0
  -19.2456    1.7500    0.0000 C   0  0
  -16.8291    0.7963    0.0000 C   0  0
  -13.1423    6.6022    0.0000 O   0  0
  -14.0780    7.7756    0.0000 C   0  0  2  0  0  0
  -13.5272    9.1709    0.0000 O   0  0
  -14.4601   10.3455    0.0000 C   0  0  1  0  0  0
  -15.9438   10.1249    0.0000 C   0  0  2  0  0  0
  -16.4946    8.7297    0.0000 C   0  0  1  0  0  0
  -15.5617    7.5551    0.0000 C   0  0  1  0  0  0
  -16.1126    6.1599    0.0000 O   0  0
  -17.9783    8.5092    0.0000 O   0  0
  -16.8766   11.2996    0.0000 O   0  0
  -13.9061   11.7404    0.0000 C   0  0
  -12.4221   11.9588    0.0000 O   0  0
  -10.5681    1.0913    0.0000 C   0  0
  -10.6404    0.9668    0.0000 C   0  0
  -14.6449   -1.0860    0.0000 C   0  0
  -15.2632   -4.4986    0.0000 O   0  0
  -18.2411   -4.8613    0.0000 O   0  0
  -19.4161   -7.6216    0.0000 O   0  0
  -17.6106  -10.0213    0.0000 C   0  0
  -16.7073  -11.2189    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  6
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  0
 13 15  1  0
 12 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 22 21  1  1
 23 22  1  6
 23 19  1  0
 23 24  1  0
 24 25  1  0
 26 25  1  1
 26 11  1  0
 26 18  1  0
 24 27  1  1
 22 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  3
 33 34  1  0
 33 35  1  0
 28 36  1  0
 37 36  1  1
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 37  1  0
 42 43  1  6
 41 44  1  1
 40 45  1  6
 39 46  1  1
 46 47  1  0
 19 48  1  6
 18 49  1  1
 11 50  1  1
  5 51  1  1
  4 52  1  6
  3 53  1  1
  2 54  1  6
 54 55  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23443

> <plate>
PLATE 001

> <well>
F10

> <supplier_cmpd_name>
Ginsenoside F2

> <ctcr_id>
11878

> <supplier_cmpd_id>
.

> <smiles>
O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@]1([C@@]3(CC[C@@H]([C@H]3[C@@H](C[C@H]21)O)[C@](C)(CCC=C(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)O)O)O)CO

> <pd_targets>
{PRKAA2,PRKAB1,PRKAG1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"ginsenoside F2",62025-49-4,62025494,CHEMBL1095007,CHEBI:77145,ginsenoside-F2,ginsenosideF2,"20(S)-Ginsenoside F2","20(S)Ginsenoside F2",20(S)-Ginsenoside-F2,20(S)GinsenosideF2,"Sg(S)-ginsenoside f2"
,"Sg(S)ginsenoside f2","(20S)-ginsenoside F2","(20S)ginsenoside F2","20-(S)-Ginsenoside F2",SCHEMBL17576511,DTXSID20432763,BDBM50317538,MFCD0641094,T3916,"Ginsenoside F2"}

> <pdid>
PD065133

> <targets>
{"Apoptosis inducer"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{9918692}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 27 29  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.1996    1.4928    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
   -0.6924    4.0811    0.0000 O   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0  2  0  0  0
    3.8805    1.4410    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    5.2007   -1.4909    0.0000 C   0  0  2  0  0  0
    5.2060   -2.9909    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0  1  0  0  0
    7.7988   -1.4819    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  0  0
    7.7884    1.5181    0.0000 O   0  0
    5.1903    1.5091    0.0000 C   0  0  2  0  0  0
    3.8939    0.7546    0.0000 O   0  0
    5.1882    3.0099    0.0000 C   0  0
    6.4857    3.7625    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  1
  4  5  2  3
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  3 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14  2  1  0
 14 15  1  6
  1 16  1  6
 17 16  1  6
 17 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 17  1  0
 24 26  1  6
 26 27  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23444

> <plate>
PLATE 001

> <well>
F11

> <supplier_cmpd_name>
Verbenalin

> <ctcr_id>
11879

> <supplier_cmpd_id>
.

> <smiles>
[C@@H]1([C@H]2[C@@H](C(=CO1)C(=O)OC)C(=O)C[C@@H]2C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Verbenalin,Cornin,548-37-8,548378,Verbenaloside,"Cornin (glycoside)",UNII-71B68181Z6,UNII71B68181Z6,CHEBI:9954,71B68181Z6,"cornin iridoid","Verbenalol, beta-D-glucopyranoside","Verbenalol, betaDgluco
pyranoside","Glucopyranoside, verbenalol, beta-D-","Glucopyranoside, verbenalol, betaD","NSC 118055",Verbenalinp,"Verbenalin (6CI,7CI,8CI)",T3890}

> <pdid>
PD000740

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{73467}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 76 84  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -5.2500    0.0000 C   0  0  2  0  0  0
   -2.5981   -6.0000    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0
   -1.2990   -8.2500    0.0000 C   0  0  1  0  0  0
   -1.2990   -9.7500    0.0000 C   0  0  2  0  0  0
    0.0001  -10.5000    0.0000 C   0  0  2  0  0  0
    1.2991   -9.7500    0.0000 C   0  0  2  0  0  0
    1.2991   -8.2500    0.0000 C   0  0
    0.0000   -7.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -6.0000    0.0000 C   0  0  1  0  0  0
    1.2991   -5.2500    0.0000 C   0  0
    1.2991   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    1.2991   -6.7500    0.0000 C   0  0
    2.5982  -10.5000    0.0000 O   0  0
   -0.0030  -12.0008    0.0000 O   0  0
   -1.3038  -12.7494    0.0000 C   0  0  1  0  0  0
   -1.3091  -14.2494    0.0000 C   0  0  1  0  0  0
   -2.6107  -14.9950    0.0000 C   0  0  2  0  0  0
   -3.9071  -14.2405    0.0000 C   0  0  1  0  0  0
   -3.9020  -12.7405    0.0000 C   0  0  2  0  0  0
   -2.6003  -11.9950    0.0000 O   0  0
   -5.2007  -11.9883    0.0000 C   0  0
   -6.5012  -12.7356    0.0000 O   0  0
   -5.2087  -14.9860    0.0000 O   0  0
   -2.6158  -16.4949    0.0000 O   0  0
   -0.0126  -15.0039    0.0000 O   0  0
   -1.2622  -11.2496    0.0000 C   0  0
   -2.5625   -8.9785    0.0000 C   0  0
   -3.8971   -9.6631    0.0000 O   0  0
   -2.5981   -4.5000    0.0000 C   0  0
    0.0000   -4.5000    0.0000 C   0  0
   -1.2990   -2.2508    0.0000 C   0  0
    0.0002   -3.0004    0.0000 O   0  0
   -2.5983   -3.0021    0.0000 O   0  0
   -3.8990   -2.2533    0.0000 C   0  0  1  0  0  0
   -5.1987   -3.0023    0.0000 C   0  0  1  0  0  0
   -6.4972   -2.2513    0.0000 C   0  0  2  0  0  0
   -6.4960   -0.7513    0.0000 C   0  0  1  0  0  0
   -5.1964   -0.0023    0.0000 C   0  0  2  0  0  0
   -3.8979   -0.7532    0.0000 O   0  0
   -5.1983    1.4986    0.0000 C   0  0
   -6.4979    2.2477    0.0000 O   0  0
   -7.7945   -0.0003    0.0000 O   0  0
   -7.7968   -3.0003    0.0000 O   0  0
   -5.1968   -4.5031    0.0000 O   0  0
   -6.4951   -5.2560    0.0000 C   0  0  1  0  0  0
   -6.4954   -6.7560    0.0000 C   0  0  1  0  0  0
   -7.7946   -7.5058    0.0000 C   0  0  1  0  0  0
   -9.0935   -6.7556    0.0000 C   0  0  2  0  0  0
   -9.0933   -5.2556    0.0000 C   0  0  1  0  0  0
   -7.7942   -4.5058    0.0000 O   0  0
  -10.3922   -4.5054    0.0000 C   0  0
  -10.3918   -7.5085    0.0000 O   0  0
  -10.3899   -9.0093    0.0000 C   0  0  1  0  0  0
  -11.6865   -9.7637    0.0000 C   0  0  1  0  0  0
  -11.6815  -11.2637    0.0000 C   0  0  2  0  0  0
  -10.3800  -12.0094    0.0000 C   0  0  1  0  0  0
   -9.0834  -11.2551    0.0000 C   0  0
   -9.0884   -9.7551    0.0000 O   0  0
  -10.3750  -13.5094    0.0000 O   0  0
  -12.9780  -12.0180    0.0000 O   0  0
  -12.9880   -9.0181    0.0000 O   0  0
   -7.7948   -9.0058    0.0000 O   0  0
   -5.1965   -7.5062    0.0000 O   0  0
    2.5800   -0.0304    0.0000 C   0  0
    1.2638    2.2496    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 17 18  1  0
 18  9  1  0
 18 19  1  6
 19 20  1  0
 20 21  2  3
 21  8  1  0
 21 22  1  0
 22  1  1  1
 22  5  1  0
 17 23  1  6
 15 24  1  6
 14 25  1  6
 26 25  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 30 32  1  1
 32 33  1  0
 29 34  1  6
 28 35  1  1
 27 36  1  6
 13 37  1  6
 13 38  1  0
 38 39  1  0
  9 40  1  6
  8 41  1  1
  5 42  1  6
 42 43  2  0
 42 44  1  0
 45 44  1  1
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 45  1  0
 49 51  1  1
 51 52  1  0
 48 53  1  6
 47 54  1  1
 46 55  1  6
 56 55  1  1
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 56  1  0
 60 62  1  6
 59 63  1  1
 64 63  1  6
 64 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  1  0
 68 69  1  0
 69 64  1  0
 67 70  1  1
 66 71  1  6
 65 72  1  1
 58 73  1  6
 57 74  1  6
  2 75  1  0
  2 76  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23445

> <plate>
PLATE 001

> <well>
G2

> <supplier_cmpd_name>
Polygalasaponin F

> <ctcr_id>
11880

> <supplier_cmpd_id>
.

> <smiles>
C1C(CC[C@@]2(CC[C@]3([C@@]4(CC[C@H]5[C@]([C@H]([C@H](C[C@@]5([C@H]4CC=C3[C@H]12)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)CO)C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]
([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Polygalasaponin F",882664-74-6,882664746,Polygalasaponin-F,PolygalasaponinF,HY-N0392,HYN0392,C53H86O23,MFCD13186871,CS-0008928,CS0008928,N2147,Y0163,T3826}

> <pdid>
PD065199

> <targets>
{NF-¦ÊB}

> <classes>
{NF-¦ªb}

> <pubchem_cids>
{11629473}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 18 18  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 N   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6078   -5.9988    0.0000 C   0  0
    3.9079   -6.7469    0.0000 N   0  0
    0.0086   -6.0029    0.0000 C   0  0
   -1.2892   -6.7552    0.0000 N   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2494    0.0000 F   0  0
   -2.6017    2.9971    0.0000 F   0  0
   -2.6044    4.4969    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  3  0
  9 12  1  0
 12 13  3  0
  3 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23446

> <plate>
PLATE 001

> <well>
G3

> <supplier_cmpd_name>
FCCP

> <ctcr_id>
11881

> <supplier_cmpd_id>
.

> <smiles>
c1cc(ccc1NN=C(C#N)C#N)OC(F)(F)F

> <pd_targets>
{FTL,RORC,TSHR,FFP,CYP3A4,ALDH1A1,MAPT,HSD17B10,ALOX15,KMT2A,MEN1,LEF,TP53,BLM,EPAS1,HIF1A}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor","Membrane receptor",Enzyme,"Other cytosolic protein","Epigenetic regulator","Nuclear receptor","Family A G protein-coupled receptor",Transferase,"Cytochr
ome P450",Oxidoreductase,Reader,Protease,"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Cytochrome P450 family 3",Bromodomain,"Metallo protease","Cysteine protease","Nuclea
r hormone receptor subfamily 1 group F","Glycohormone receptor","Cytochrome P450 family 3A","Metallo protease MAE clan","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group F member
 3","Cytochrome P450 3A4","Metallo protease M34 family","Cysteine protease C1A family"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","Cytochrome P450","Eicosanoid turnover","1F. Retinoic acid-related orphans","Glycoprotein hormone receptors","CYP3 family",
Lipoxygenases}

> <pathway_reactome>
{"Vesicle-mediated transport","Gene expression (Transcription)",Disease,Metabolism,"Neuronal System","Cell Cycle","DNA Repair","Membrane Trafficking","RNA Polymerase II Transcription","Infectious dise
ase","Metabolism of lipids","Biological oxidations","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives","Cell Cycle Checkpoints","DNA Double-Strand Break Repair","trans
-Golgi Network Vesicle Budding","Generic Transcription Pathway","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Neurotran
smitter receptors and postsynaptic signal transmission","Branched-chain amino acid catabolism","Uptake and actions of bacterial toxins","G1/S DNA Damage Checkpoints","Homology Directed Repair","Golgi 
Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Activation of NMDA receptors and 
postsynaptic events","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","p53-Dependent G1/S DNA damage checkpoint","HDR through Homologous Recombination (HRR) or Single Strand 
Annealing (SSA)","RUNX3 Regulates Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Post NMDA receptor activation eve
nts","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","HDR through Homologous Recombination (HRR)","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresi
n-like SPMs","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","Stabilization of p53","Homologous DNA Pairing and Strand Exchange","Autodegradation of
 the E3 ubiquitin ligase COP1","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{FCCP,370-86-5,370865,"Carbonyl cyanide p-trifluoromethoxyphenylhydrazone","Carbonyl cyanide ptrifluoromethoxyphenylhydrazone","Carbonyl cyanide 4-(trifluoromethoxy)phenylhydrazone","Carbonyl cyanide 
4(trifluoromethoxy)phenylhydrazone","Propanedinitrile, ((4-(trifluoromethoxy)phenyl)hydrazono)-","Propanedinitrile, ((4(trifluoromethoxy)phenyl)hydrazono)",CHEBI:75458,2-(2-(4-(Trifluoromethoxy)phenyl
)hydrazono)malononitril,2(2(4(Trifluoromethoxy)phenyl)hydrazono)malononitril,T6834}

> <pdid>
PD018781

> <targets>
{ATPase,Mitochondrial Metabolism}

> <classes>
{Membrane transporter/Ion channel,Metabolic Enzyme/Protease}

> <pubchem_cids>
{3330}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 26 27  0  0  0  0            999 V2000
   11.6972   -3.7835    0.0000 O   0  0
   11.6919   -5.2835    0.0000 C   0  0
   12.9886   -6.0376    0.0000 O   0  0
   10.3893   -6.0290    0.0000 C   0  0
    9.0920   -5.2745    0.0000 C   0  0
    7.7894   -6.0199    0.0000 C   0  0
    6.4920   -5.2654    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 S   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1873   -7.5117    0.0000 S   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7798  -10.5202    0.0000 C   0  0
    7.7746  -12.0202    0.0000 C   0  0
    6.4729  -12.7657    0.0000 C   0  0
    5.1765  -12.0112    0.0000 C   0  0
    5.1817  -10.5112    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
  8 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23447

> <plate>
PLATE 001

> <well>
G4

> <supplier_cmpd_name>
CPI-613

> <ctcr_id>
721

> <supplier_cmpd_id>
.

> <smiles>
OC(=O)CCCCC(CCSCc1ccccc1)SCc2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PDHA1}

> <broad_moa>
{"pyruvate dehydrogenase inhibitor"}

> <synonyms>
{PI61,CPI-613,CPI613,95809-78-2,95809782,"6,8-bis(benzylthio)octanoic acid","6,8bis(benzylthio)octanoic acid",Devimistat,"CPI 613","6,8-Bis(benzylsulfanyl)octanoic acid","6,8Bis(benzylsulfanyl)octanoi
c acid","Octanoic acid, 6,8-bis((phenylMethyl)thio)-","Octanoic acid, 6,8bis((phenylMethyl)thio)",MFCD22420826,"Octanoic acid, 6,8-bis((phenylmethyl)thio)-","Octanoic acid, 6,8bis((phenylmethyl)thio)"
,MLS006010202,SCHEMBL1062218,T6157,S2776}

> <pdid>
PD010579

> <targets>
{Dehydrogenase,Apoptosis,Mitochondrial Metabolism}

> <classes>
{Metabolism,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{24770514}

$$$$
TargetMol_L5300_Mitochondrial Targeting Compound Library
  SciTegic11012413012D

 28 29  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 N   0  0
  -11.7517    0.8631    0.0000 C   0  0
  -12.7554    1.9778    0.0000 C   0  0
  -12.0054    3.2768    0.0000 N   0  0
  -10.5381    2.9650    0.0000 C   0  0
   -7.8029    2.9894    0.0000 C   0  0
   -9.1023    3.7390    0.0000 C   0  0
   -9.1028    5.2390    0.0000 C   0  0
   -7.8041    5.9895    0.0000 C   0  0
   -6.5048    5.2400    0.0000 C   0  0
   -6.5042    3.7400    0.0000 C   0  0
   -7.8016    7.4904    0.0000 O   0  0
   -6.5017    8.2390    0.0000 C   0  0
    5.0973    2.6178    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 15  1  0
 13 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L5300_Mitochondrial Targeting Compound Library

> <id>
23448

> <plate>
PLATE 001

> <well>
G5

> <supplier_cmpd_name>
SKF-96365 hydrochloride

> <ctcr_id>
11511

> <supplier_cmpd_id>
.

> <smiles>
COc1ccc(cc1)CCCOC(Cn1ccnc1)c1ccc(cc1)OC.Cl

> <pd_targets>
{ALDH1A1,TRPC6,CYP3A4,CYP2C9,FTL,MAPT,TRPC7,PKD2,TRPC5,TRPC1,TRPV2,TRPC4,TRPC3,KMT2A,MEN1,RORC,MAPK1,TP53,CYP1A2,TSHR,HSD17B10,LEF}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein","Other cytosolic protein",Oxidoreductase,"Voltage-gated ion channel","Cytochrome P450","Transient receptor potential channel","Cytochrome P450 family 3","C
ytochrome P450 family 2","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 3A4","Cytochrome P450 2C9","Epigenetic regulator","Transcription factor","Membrane receptor",Reader,"N
uclear receptor",Kinase,"Family A G protein-coupled receptor",Protease,Bromodomain,"Nuclear hormone receptor subfamily 1","Protein Kinase","Cytochrome P450 family 1","Peptide receptor (family A GPCR)"
,"Metallo protease","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 1A","Glycohormone receptor","Metallo protease MAE clan","Nuclear hormone receptor
 subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 1A1","Metallo protease M34 family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Cytochrome P450","Transient Receptor Potential channels","CYP3 family","CYP2 family: drug metabolising subset",Receptors,"Nuclear hormone receptor
s","Kinases (EC 2.7.x.x)","G protein-coupled receptors","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","Glycoprotein hormone receptors","Mitogen-acti
vated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Vesicle-mediated transport","Neuronal System","Organelle biogenesis and maintenance","Transport of small molecules","Biological oxidations","Nervous system develop
ment","Metabolism of lipids","Membrane Trafficking","Transmission across Chemical Synapses","Cilium Assembly","Ion channel transport","Phase I - Functionalization of compounds","Axon guidance","Biosyn
thesis of specialized proresolving mediators (SPMs)","trans-Golgi Network Vesicle Budding","Neurotransmitter receptors and postsynaptic signal transmission","Cargo trafficking to the periciliary membr
ane","Stimuli-sensing channels","Ethanol oxidation","Netrin-1 signaling","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Golgi Associated Vesicle Biogenesis","Activa
tion of NMDA receptors and postsynaptic events","VxPx cargo-targeting to cilium","TRP channels","Role of second messengers in netrin-1 signaling","Biosynthesis of maresins",Xenobiotics,"Post NMDA rece
ptor activation events","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Gene expression (Transcription)","Immune System","Cell Cycle",Disease,"RNA Pol
ymerase II Transcription","Innate Immune System","Cell Cycle Checkpoints","Infectious disease","Metabolism of amino acids and derivatives","Generic Transcription Pathway","Toll-like Receptor Cascades"
,"G1/S DNA Damage Checkpoints","Leishmania infection","Branched-chain amino acid catabolism","Uptake and actions of bacterial toxins","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5)
 Cascade","p53-Dependent G1/S DNA damage checkpoint","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","RUNX3 Regulates Immune Response and Cell Migration","MyD88 casca
de initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","Anti-inflammatory response favouring Leishmania parasite infection","MAP kinase activation","Stabilization of p53","Aromatic am
ines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiqu
itin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP3A4,PKD2,TRPC1,TRPC3,TRPC4,TRPC5,TRPV2}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"KF96365 HYDROCHLORID",130495-35-1,130495351,"SKF-96365 hydrochloride","SKF96365 hydrochloride",SKF-96365,SKF96365,"SKF 96365 HYDROCHLORIDE","SK&F 96365","SKF-96365 (hydrochloride)","SKF96365 (hydroc
hloride)","SKF-96365 HCl","SKF96365 HCl",MFCD00236407,"130495-35-1 (HCl)","130495351 (HCl)",SK&F-96365,SK&F96365,SR-01000597888,SR01000597888,SKF96365.HCl,S,T2170}

> <pdid>
PD047051

> <targets>
{TRP,Apoptosis,Autophagy,CRAC Channel,Potassium Channel,TRP Channel}

> <classes>
{Membrane transporter/Ion channel,Apoptosis,Autophagy,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{104955}

$$$$
