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TargetMol | Compound Library

Bioactive Compound Library

Catalog No. L4000

It contains more than 18720 small molecule compounds, with known biological activities causing biological reaction in cells, tissue even whole body, including Clinical compound library (L3400), Preclinical compound library (L3410), and Approved drug library (L1000). All compounds have clear targets and detailed information description, which is the key point to drug research and development like drug repurposing, small molecule inducing stem cell differentiation, and target identification in mechanism interrogation.

Many scientists have identified small molecules that can regulate cell fate and function, and stem cell differentiation by screening annotated bioactive compound library with confirmed activity and known targets. Recent advances in iPSC technology have made reprogramming of somatic cells towards pluripotency possible and simpler. Using both phenotypic screening and hypothesis-driven approaches, a growing number of compounds have been identified that can functionally replace reprogramming transcription factors, enhance efficiency of iPSC generation and accelerate the reprogramming process by single use or a combination of several molecules with success in cardiomyocyte differentiation and proliferation, neural progenitor cells, etc.

All products from TargetMol are for Research Use Only. Not for Human or Veterinary or Therapeutic Use.

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Catalog No. L4000

Bioactive Compound Library

sizeIn stock

  • 1 mg
  • 30 μL x 10 mM (in DMSO)
  • 50 μL x 10 mM (in DMSO)
  • 100 μL x 10 mM (in DMSO)
  • 250 μL x 10 mM (in DMSO)
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Packaging And Storage Packaging And Storage

  • Powder or pre-dissolved DMSO solutions in 96/384 well plate with optional 2D barcode
  • Shipped with blue ice
  • This compound library is provided at a concentration of 10 mM in DMSO. A small number of compounds may be provided in different solvents or concentrations due to solubility or stability requirements. Please refer to the specific product information for details.

Product Description Product Description

  • A collection of 18720 small molecule compounds with validated activity for high throughput screening (HTS), high content screening (HCS), cell induction, and target identification;
  • All compounds have clear targets;
  • An effective tool for discovering new with old drugs, cell induction, and new drug target screening;
  • Covers various disease research areas, such as Cancer, Metabolism, Immunology and Cardiovascular system, etc.
  • Detailed compound information with structure, target, activity, IC50 value, and brief introduction;
  • Structurally diverse, medicinally active, and cell permeable;
  • NMR and HPLC validated to ensure high purity and quality;

Advantages Introduction Advantages Introduction

High-Standard Entry Criteria

TargetMol's Bioactive Compounds Library is established upon rigorous entry standards to ensure that every compound included is structurally well-defined and of exceptional purity, verified through multiple analytical techniques such as NMR, HPLC, and LC-MS. Our multi-layered screening mechanism effectively eliminates compounds with ambiguous structures, such as mixtures and polymers. Moreover, we specifically exclude substances like sunscreens, contrast agents, dyes, fragrances, plastic additives, and intermediates—compounds typically lacking biological activity due to their specificity and stability, which generally prevent interactions with biological systems. This meticulous curation reduces time and resource waste caused by ineffective screenings.

Significant Structural Diversity

TargetMol’s Bioactive Compounds Library features extensive scaffold diversity and structural complexity, offering a substantial advantage in drug discovery. Based on the Bemis-Murcko scaffold classification, our library is categorized into 10,102 unique classes, each representing a distinct molecular scaffold, thereby extensively covering a broad chemical space. The compounds range from simple to highly complex structures, providing a diverse foundation for identifying lead compounds with strong affinity and specificity toward target proteins. This structural richness significantly advances pharmaceutical innovation. Whether targeting traditional drug targets or emerging, more challenging ones, our Bioactive Compounds Library offers a wealth of candidate molecules to accelerate the drug development process.

 Bioactive Compound Library
Library Diversity Analysis

Superior Drug-Like Properties

67% of the compounds in TargetMol's Bioactive Compounds Library comply with Lipinski’s "Rule of Five" (Ro5), indicating excellent bioavailability and permeability.

 Bioactive Compound Library  Bioactive Compound Library
 Bioactive Compound Library  Bioactive Compound Library
 Bioactive Compound Library  Bioactive Compound Library

Multidimensional Pharmacokinetic Analysis

A multidimensional evaluation is conducted on TargetMol’s Bioactive Compounds Library, which systematically analyzes three key pharmacological parameters: blood-brain barrier permeability, cardiotoxicity (HERG K+ channel inhibition), and oral absorption performance.

 Bioactive Compound Library  Bioactive Compound Library  Bioactive Compound Library

14% of the compounds can cross the blood-brain barrier, while 86% cannot.
49% of the compounds exhibit cardiotoxicity, while 51% do not.
54% of the compounds are highly orally absorbable.

Diverse Compound Collection

TargetMol's Bioactive Compound Library covers a wide variety of compounds with diverse biological activities. This includes marketed drugs, drug candidates in clinical trials, and compounds with reported biological activities in the literature. The library encompasses not only mainstream signaling pathways and targets but also numerous emerging therapeutic targets. It spans various therapeutic areas, including cancer, cardiovascular diseases, and neurological disorders.

 Bioactive Compound Library  Bioactive Compound Library
 Bioactive Compound Library  Bioactive Compound Library

Regular Updates to Compound Libraries

We ensure our compound libraries remain at the forefront of scientific research by regularly updating our database with compounds mentioned in cutting-edge literature and newly custom-synthesized compounds.

Flexible Packaging Options

We offer a variety of standard packaging sizes (e.g., 30 μL, 50 μL, 100 μL, 250 μL, 1 mg), and we can customize packaging solutions to meet specific needs.

Customized Services

To support specific needs, we offer tailored screening services, including the design and synthesis of customized compound libraries and the execution of personalized screening projects. Our highly flexible service model is designed to efficiently meet unique needs of scientists and accelerate breakthrough discoveries.

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Apoptosis
Endogenous Metabolite
Antibacterial
Autophagy
Antibiotic
5-HT Receptor
Parasite
Antifungal
DNA/RNA Synthesis
AChR
NF-κB
Adrenergic Receptor
COX
Reactive Oxygen Species
Calcium Channel
Dopamine Receptor
Potassium Channel
CDK
HIV Protease
Cytochromes P450
PI3K
Ras
Antioxidant
EGFR
Dehydrogenase
Histamine Receptor
Sodium Channel
Epigenetic Reader Domain
PDE
GABA Receptor
Akt
VEGFR
TNF
p38 MAPK
Caspase
Influenza Virus
Virus Protease
PPAR
iGluR
Cholinesterase (ChE)
GluR
TRP/TRPV Channel
ERK
Histone Methyltransferase
Microtubule Associated
SARS-CoV
HDAC
JAK
Nucleoside Antimetabolite/Analog
mTOR
GPCR
Phosphatase
Wnt/beta-catenin
Bcl-2 Family
PARP
NO Synthase
Topoisomerase
Prostaglandin Receptor
Interleukin
STAT
Estrogen Receptor/ERR
Ferroptosis
Drug Metabolite
AMPK
MMP
Src
PKC
HCV Protease
Anti-infection
IL Receptor
Antiviral
Estrogen/progestogen Receptor
FLT
Opioid Receptor
Adenosine Receptor
ROS
NMDAR
RAAS
GSK-3
Androgen Receptor
HIF/HIF Prolyl-Hydroxylase
PDGFR
Mitochondrial Metabolism
TGF-beta/Smad
Beta Amyloid
FGFR
Glucocorticoid Receptor
TLR
HSP
Monoamine Oxidase
Raf
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Nrf2
c-Met/HGFR
Lipoxygenase
Phospholipase
MAO
MDM-2/p53
MAPK
Tyrosinase
JNK
HBV
c-Kit
Cannabinoid Receptor
ALK
ATPase
HSV
Bcr-Abl
Sirtuin
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Serine Protease
Histone Demethylase
E1/E2/E3 Enzyme
Transferase
Kras
Integrin
Glucosidase
Immunology/Inflammation related
DUB
PKA
LPL Receptor
Mitophagy
Aurora Kinase
PROTACs
Casein Kinase
Antifection
Serotonin Transporter
IκB/IKK
Carbonic Anhydrase
NOS
P-gp
p53
Tyrosine Kinases
CCR
ROCK
MEK
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Gamma-secretase
IGF-1R
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HIF
Serine/threonin kinase
Cysteine Protease
Retinoid Receptor
Angiotensin-converting Enzyme (ACE)
NOD-like Receptor (NLR)
CXCR
Histone Acetyltransferase
Neurokinin receptor
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S1P Receptor
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PERK
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c-RET
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Aryl Hydrocarbon Receptor
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NOD
Fatty Acid Synthase
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TAM Receptor
c-Fms
transporter
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Trk receptor
ATM/ATR
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Glucokinase
CFTR
Syk
DNA Methyltransferase
Smo
Glutathione Peroxidase
Progesterone Receptor
HER
PLK
PD-1/PD-L1
Thyroid hormone receptor(THR)
ribosome
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Glucagon Receptor
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RSV
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Epoxide Hydrolase
Isocitrate Dehydrogenase (IDH)
Vasopressin Receptor
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Ephrin Receptor
Ligands for Target Protein for PROTAC
Monoamine Transporter
Stearoyl-CoA Desaturase (SCD)
Telomerase
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Pyroptosis
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PAFR
PI4K
IRE1
LDL
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GTPase
PAI-1
GST
GPCR19
CSF-1R
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Monocarboxylate transporter
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IKZF
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MyD88
FKBP
NAMPT
UGT
Apelin receptor
MNK
MLK
PKM
GRK
Melatonin Receptor
GPX
Na+/Ca2+ Exchanger
MIF
Imidazoline Receptor
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Wee1
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Amylase
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p97
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E3 Ligase Ligand-Linker Conjugate
AAK1
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p62
MT Receptor
CGRP Receptor
Oxytocin Receptor
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Thrombopoietin Receptor
ASK
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Protease
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Succinate Receptor 1 (SUCNR1)
TOPK
Decarboxylase
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ADC Linker
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ACK1
DprE1
MRGPR
AIM2
ASBT
Cuproptosis
MTH1
Hexokinase
Orphan Receptor
Taste receptor
Adiponectin Receptor
PROTAC Linker
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Hck
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gp120/CD4
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PARG(Poly(ADP-ribose) Glycohydrolase)
Photosystem (PS)
Transketolase
glycosidase
Piezo Channel
NUDIX hydrolase
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hCE
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PACAP
KSP
RXFP receptor
GSNOR
Y Box Binding Protein 1
Glutaminyl Cyclase
HCAR
Drug-Linker Conjugates for ADC
ATTECs
Glyoxalase
Lysosomal Autophagy
OLIG2
Ferroportin
Motilin Receptor
Thioredoxin
stilbene oxidase
N-Acetylglucosaminyltransferase
Anion Exchanger
CD74
Procollagen C Proteinase
Stemness kinase
Early 2 Factor (E2F)
Poly(ADP-ribose) Glycohydrolase (PARG)
Neuropeptide W
LHRH
Urea Transporter
CYP19A1
B7
Target Protein Ligand-Linker Conjugate
AUTACs
Fer/FerT kinase
Tight Junction Protein
MAP3K
Enteropeptidase (EP)
Sodium-dependent phosphate transporter
PGC-1α
IGF-2R
NMU2R
NMUR

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