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TargetMol | Compound Library

Bioactive Compounds Library Max

Catalog No. L4010

Bioactive Compound Library Max is a collection of 26421 compounds with biological activity that elicit biological responses in cells, tissues and even individuals. It includes drug molecules that are in preclinical studies, clinical-phase studies and those that are already on the market. With clear targets and comprehensive information, it is ideal for drug repurposing, cell induction and differentiation, and protein target identification in biochemical mechanistic studies.

Because of the clear activity and known targets, many scientists will select small molecules from the Bioactive Compound Library that can be used for cell induction and differentiation. By the combined actions of a single or several small molecules, molecules capable of inducing various somatic cells into induced pluripotent stem cells, neural precursor cells, cardiomyocytes, etc. have been screened; there have even been successful trials of induced differentiation in vivo using combinations of small molecules.

The Bioactive Compound Library Max is a more extensive version of the Bioactive Compound Library (L4000), with the addition of TargetMol's unique and novel compounds (Part B), all of which have clear targets and have been tested for activity at the cellular level. Therefore, it has more novel structures than approved drug libraries and leads to easier active compounds discovery than drug-like compound libraries.

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

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Catalog No. L4010

Bioactive Compounds Library Max

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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Product Description Product Description

  • A collection of 26421 bioactive compounds for high-throughput screening, high-content screening, cell induction and target identification.
  • All compounds are described with corresponding target information, which makes activity studies more evidence-based.
  • An effective tool for drug repurposing and cell-induced target screening.
  • Covers multiple areas of disease studies, such as cancer, metabolism, immune system and cardiovascular system.
  • Detailed instructions, compound structures, target information, activity descriptions, etc.
  • Structural diversity, significant drug potency and cell penetration.

Advantages Introduction Advantages Introduction

High-Standard Entry Criteria

TargetMol's Bioactive Compounds Library Max 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. To further enhance hit rates in activity screening, we have introduced TargetMol’s exclusive novel compounds (Part B), all of which have well-defined targets and have undergone activity testing at both cellular and protein levels.

Significant Structural Diversity

TargetMol’s Bioactive Compounds Library Max 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 15,111 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 Max offers a wealth of candidate molecules to accelerate the drug development process.

 Bioactive Compounds Library Max
Library Diversity Analysis

Superior Drug-Like Properties

73% of the compounds in TargetMol's Bioactive Compounds Library Max comply with Lipinski’s "Rule of Five" (Ro5), indicating excellent bioavailability and permeability.

 Bioactive Compounds Library Max  Bioactive Compounds Library Max
 Bioactive Compounds Library Max  Bioactive Compounds Library Max
 Bioactive Compounds Library Max  Bioactive Compounds Library Max

Multidimensional Pharmacokinetic Analysis

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

 Bioactive Compounds Library Max  Bioactive Compounds Library Max  Bioactive Compounds Library Max

15% of the compounds can cross the blood-brain barrier, while 85% cannot.
58% of the compounds exhibit cardiotoxicity, while 42% do not.
60% of the compounds are highly orally absorbable, 28% are orally absorbable, and 12% are poorly orally absorbable.

Diverse Compound Collection

TargetMol’s Bioactive Compounds Library Max encompasses a wide range of molecule types with diverse biological activities. This includes approved drugs, clinical trial candidates, literature-reported bioactive compounds, and molecules capable of eliciting responses at the cellular, tissue, or even whole-organism level. The library covers not only major signaling pathways and targets but also many emerging therapeutic targets. The Bioactive Compounds Library Max (L4010) is established upon the classic L4000 library by adding approximately 300 new targets, bringing the total to nearly 900 targets across about 4,000 receptors. This significantly enhances the likelihood of successful screening hits. The library spans a broad spectrum of therapeutic areas, including cancer, cardiovascular diseases, and neurological disorders.

 Bioactive Compounds Library Max  Bioactive Compounds Library Max
 Bioactive Compounds Library Max  Bioactive Compounds Library Max

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.

Packaging And Storage | TargetMol Packaging And Storage

  • Powder or pre-dissolved DMSO solutions in 96/384 well plate with optional 2D barcode
  • Shipped with blue ice

Library Customization | TargetMol Library Customization

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Apoptosis
Endogenous Metabolite
Antibacterial
Autophagy
Antibiotic
5-HT Receptor
AChR
Antifungal
Parasite
Adrenergic Receptor
NF-κB
DNA/RNA Synthesis
COX
Dopamine Receptor
CDK
Calcium Channel
Potassium Channel
HIV Protease
Antioxidant
PI3K
EGFR
Histamine Receptor
Cytochromes P450
Epigenetic Reader Domain
Dehydrogenase
Sodium Channel
PDE
GABA Receptor
Reactive Oxygen Species
VEGFR
GluR
Histone Methyltransferase
TRP/TRPV Channel
Influenza Virus
Microtubule Associated
PPAR
HDAC
TNF
Wnt/beta-catenin
Phosphatase
Cholinesterase (ChE)
JAK
Akt
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mTOR
p38 MAPK
GPCR
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SARS-CoV
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ERK
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PKC
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STAT
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Caspase
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PDGFR
AMPK
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FGFR
Opioid Receptor
NO Synthase
Glucocorticoid Receptor
Virus Protease
Bcl-2 Family
Androgen Receptor
GSK-3
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MAO
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c-Kit
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ALK
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E1/E2/E3 Enzyme
Mitophagy
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PROTACs
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ROCK
MEK
HIF
Carbonic Anhydrase
Casein Kinase
Immunology/Inflammation related
Gamma-secretase
IκB/IKK
Monoamine Oxidase
Reverse Transcriptase
Cysteine Protease
Interleukin
Retinoid Receptor
S1P Receptor
Norepinephrine
CXCR
RIP kinase
Serotonin Transporter
P2X Receptor
Serine/threonin kinase
Serine Protease
Reductase
IGF-1R
Glucosidase
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FAK
Neurokinin receptor
LPL Receptor
NOD
DNA-PK
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TAM Receptor
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FAAH
ATM/ATR
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Trk receptor
PERK
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transporter
Progesterone Receptor
Chloride channel
Proton pump
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DPP-4
PLK
Syk
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ribosome
CFTR
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DNA Methyltransferase
Mdm2
DNA
Endothelin Receptor
Thrombin
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Chk
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Rho
cAMP
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LTR
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P2Y Receptor
AhR
IRAK
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STING
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Hydroxylase
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OX Receptor
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Neurotensin Receptor
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PAFR
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Somatostatin
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IDO
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Arrestin
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PTEN
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Protease
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GlyT
PAD
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MyD88
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p97
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glycosidase
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IGF-2R
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PGC-1α
PARG(Poly(ADP-ribose) Glycohydrolase)
Poly(ADP-ribose) Glycohydrolase (PARG)