3DRC Drug Library Details
Approved Drugs, Investigational Agents, and Bioactive Molecules
MCE_FDA_2024
- Number of Compounds: 4,711
- Description: MCE_FDA_2024 is a custom collection of 4,711 unique drugs and clinical trial candidates that have been extensively tested in preclinical and clinical trials. These compounds are approved for use in humans by the FDA, EMA, NMPA, and PMDA. The collection also contains drugs from United States, British, and Japanese Pharmacopeia organizations. This collection is valuable for rapid clinical translation through drug repurposing alone or in combination. It covers a wide range of therapeutic areas, including oncology, infectious diseases, inflammation, and neurological disorders. Each compound is supported by detailed information on clinical development status, research areas, targets, and bioavailability, making it a comprehensive tool for accelerating drug development. Compounds are present at 10 mM in DMSO.
MCE_Epigenetics_2024
- Number of Compounds: 891
- Description: MCE_Epigenetics_2024 is a custom collection of 891 epigenetic-targeting compounds. The compounds in this collection were developed to target various types of epigenetic processes, including DNA methylation, histone protein structure alterations, and gene regulation by small non-coding microRNAs. These modifications reveal the complexities of cellular differentiation, gene expression regulation, aging, cancer, and other diseases. Each compound is supported by detailed information pertaining to its target or pathway. Compounds are present at 10 mM in DMSO.
SGC_Epigenetics
- Number of Compounds: 59
- Description: SGC_Epigenetics is a collection of 59 unique and non-duplicative epigenetic-targeting chemical probes selected from the Structure Genomic Consortium (SGC) probes program. These small, drug-like molecules inhibit or antagonize proteins involved in epigenetic signaling, with a binding affinity of Kd < 100 nM and significant on-target cellular activity at concentrations of 1 µM or less. Each compound is supported by detailed information pertaining to its target or pathway. Compounds are present at 10 mM in DMSO.
- Number of Compounds: 4,309
- Description: The CDDP Custom Informer (CCI) drug library is a subsampling of 4,309 bioactive molecules from the MedChemExpress bioactive collection. The library was built by selecting representative chemical entities from clusters generated using drug target and mechanism of action (MoA) annotations, providing high mechanistic coverage with relatively few molecules. Drug families were selected from multiple generations that span pre-clinical to approved-use applications, balancing mechanistic probes with translational applications. The library is pre-arrayed in a 384-well plate format with enriched drug MoA to improve screening efficiency. Compounds are present at 10 mM in 100% DMSO.
National Cancer Institute Approved Oncology Set XI_2023
- Number of Compounds: 180
- Description: This set contains the most current FDA-approved anticancer drugs. The current set consists of 168 agents and is intended to enable cancer research, drug discovery, and combination drug studies. All proprietary agents in this set were obtained through commercial sources. The collection was updated in 2021 to contain all of the drugs currently described in the AOD-X Collection. Compounds are present at 10 mM in 100% DMSO.
TargetMol Epigenetics Compound Library_2019
- Number of Compounds: 380
- Description: The Epigenetics Compound Library by TargetMol contains 380 compounds related to epigenetic regulation, including DNA methylation, histone modification, and RNA transcription. This library is useful for research in epigenetics, high throughput screening, and high content screening for new drugs in epigenetic modification. Compounds are present at 10 mM in DMSO.
Custom Clinical Collection_2021
- Number of Compounds: 146
- Description: The Custom Clinical Collection contains approximately 147 compounds that target a wide variety of pathways. Fifty-seven percent of the compounds are currently used in clinics for the treatment of various forms of cancer, and 37% of the compounds are in clinical trials. Compounds are present at 10 mM in DMSO.
Targeted and Focused Collections
Cancer Therapy Evaluation Program (CTEP) Collection_2018
- Number of Compounds: 48
- Description: This collection contains 48 drugs selected from the approximately 63 drugs currently available through the CTEP investigational drug portfolio program for clinical development. The CTEP program, part of the National Cancer Institute, coordinates the clinical therapeutics development program of the Division of Cancer Treatment and Diagnosis (DCTD), NCI. Compounds are present at 10 mM in DMSO.
TargetMol Mitochondrial Targeting Collection_2019
- Number of Compounds: 64
- Description: The Mitochondrial Targeting Compound Library from TargetMol contains 64 compounds targeting mitochondria, which play an essential role in generating cellular energy, regulating calcium homeostasis, and controlling apoptosis. Mitochondria are implicated in diseases such as metabolic disorders, neurodegeneration, and cancer. Compounds are present at 10 mM in DMSO.
TargetMol Wnt-Hedgehog-Notch Compound Library_2019
- Number of Compounds: 74
- Description: The Wnt/Hedgehog/Notch Compound Library from TargetMol contains 74 compounds targeting the Wnt, Hedgehog, and Notch signaling pathways, which are involved in cell fate determination, cell migration, tissue polarity, and cancer biology. This library can be used for research in these signaling pathways and related drug screening. Compounds are present at 10 mM in DMSO.
TargetMol Oxidation-Reduction Compound Library_2019
- Number of Compounds: 118
- Description: The Oxidation-Reduction Compound Library by TargetMol contains 118 compounds that inhibit metabolic and cellular signaling pathways affected by oxidative stress. This library is useful for studying the therapeutic vulnerabilities of cancer cells to oxidation-reduction modulators. Compounds are present at 10 mM in DMSO.
- Number of Compounds: 130
- Description: The TargetMol Cell Cycle Compound Library contains 130 compounds that regulate the normal progression of the cell cycle. Some of these compounds interfere with CDK/cyclin complexes or induce cell cycle arrest at different phases, ultimately leading to apoptosis. This library can be used for anti-cancer drug screening. Compounds are present at 10 mM in DMSO.
TargetMol MAPK Inhibitor Library_2019
- Number of Compounds: 140
- Description: The MAPK Inhibitor Library by TargetMol contains 140 compounds targeting MAPK signaling, a key pathway involved in cell proliferation, differentiation, apoptosis, and stress response. This library is useful for research in MAPK signaling and drug screening for related diseases. Compounds are present at 10 mM in DMSO.
TargetMol JAK-STAT Compound Library_2019
- Number of Compounds: 145
- Description: The JAK/STAT Compound Library from TargetMol contains 145 compounds targeting the JAK/STAT signaling pathway, which plays a critical role in immunity, cell division, and tumor formation. This library is useful for research in JAK/STAT signaling and related drug screening. Compounds are present at 10 mM in DMSO.
TargetMol PI3K-AKT-mTOR Compound Library_2019
- Number of Compounds: 190
- Description: The PI3K/AKT/mTOR Compound Library by TargetMol contains 190 compounds targeting the PI3K/AKT/mTOR pathway, an intracellular signaling pathway that regulates the cell cycle, proliferation, and cancer. Compounds are present at 10 mM in DMSO.
TargetMol Apoptosis Compound Library_2019
- Number of Compounds: 191
- Description: The Apoptosis Compound Library by TargetMol contains 191 compounds targeting pro-apoptotic and anti-apoptotic pathways. This library is useful for studying therapeutic strategies for cancer, autoimmune diseases, and neurodegenerative diseases by modulating apoptosis. Compounds are present at 10 mM in DMSO.
TargetMol Endocrinology-Hormones Library_2019
- Number of Compounds: 297
- Description: The Endocrinology-Hormones Compound Library by TargetMol contains 297 compounds targeting the endocrine system. This library is useful for research in endocrine diseases and high throughput screening for new drugs. Compounds are present at 10 mM in DMSO.
TargetMol Tyrosine Kinase Inhibitor Library_2019
- Number of Compounds: 339
- Description: The Tyrosine Kinase Inhibitor Library by TargetMol contains 339 compounds targeting the tyrosine kinase family, which is involved in cell proliferation, tumor invasion, and angiogenesis. This library is useful for research in tyrosine kinase signaling and drug screening for related diseases. Compounds are present at 10 mM in DMSO.
TargetMol Stem Cell Library_2019
- Number of Compounds: 340
- Description: The Stem Cell Compound Library by TargetMol contains 340 compounds targeting stem cell differentiation signaling pathways. This library is useful for stem cell research and related drug screening. Compounds are present at 10 mM in DMSO.
GPCR Collection_2017
- Number of Compounds: 353
- Description: The GPCR Collection includes 353 compounds targeting G-protein coupled receptors, which are widely used in pharmaceutical and biotechnology research. The collection contains small molecules associated with many GPCR receptors, such as 5-HT, dopamine, and opioid receptors. Compounds are present at 10 mM in DMSO.
TargetMol Ion Channel Inhibitor Library_2019
- Number of Compounds: 362
- Description: The Ion Channel Inhibitor Library by TargetMol contains 362 compounds targeting ion channels, which play fundamental roles in cell communication and human physiology. This library is useful for ion channel research and drug discovery. Compounds are present at 10 mM in DMSO.
TargetMol Natural Compound Library_2019
- Number of Compounds: 1,680
- Description: The Natural Compound Library by TargetMol contains 1,680 natural products with known bioactivity. Natural products are a successful source of new drugs, and this library is useful for drug discovery, pharmacological studies, and stem cell differentiation. Compounds are present at 10 mM in DMSO.
Microsource Spectrum Collection_2012
- Number of Compounds: 2,000
- Description: The Microsource Spectrum Collection consists of the US Drug Collection, NatProd Collection, and Killer Collection. The US Drug Collection contains 1,040 drugs that have reached clinical trials in the USA. The NatProd Collection includes 800 pure natural products, while the Killer Collection comprises 160 synthetic and natural toxic substances used as reference compounds. Compounds are present at 10 mM in DMSO.
National Cancer Institute_2016
- Number of Compounds: 2,782
- Description: The National Cancer Institute Collection includes the Mechanistic Set VI, Diversity Set VII, and Natural Products Set V. These sets were derived to represent a broad range of growth inhibition patterns in tumor cell screens and diverse pharmacophores. Compounds are present at 10 mM in DMSO.
TargetMol Bioactive Compound Library_2019
- Number of Compounds: 5,370
- Description: The Bioactive Compound Library by TargetMol contains more than 5,370 small molecule compounds with known biological activities, including clinical, preclinical, and approved drug compounds. This library is useful for drug repurposing, target identification, and stem cell differentiation studies. Compounds are present at 10 mM in DMSO.
Maybridge HitFinder Collection_2012
- Number of Compounds: 14,400
- Description: The HitFinder Collection by Maybridge maintains the structural diversity of the Maybridge Screening Collection. This collection is useful for high throughput discovery, providing rapid access to structurally diverse hit compounds. Compounds are present at 10 mM in DMSO.
