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Results for "

Drug-like

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Drug-Linker Conjugates for ADC (2) 5-HT Receptor (2) Apoptosis (1) Autophagy (1) Dopamine Receptor (1) Epigenetic Reader Domain (1) HIV (1) LPL Receptor (1) PD-1/PD-L1 (2) Phosphodiesterase (PDE) (1)
By Research Areas:	Cancer (6) Infection (1) Inflammation/Immunology (3) Neurological Disease (3)

Inhibitors & Agonists

Screening Libraries

Peptides

Natural
Products

Targets Recommended: Drug Metabolite Antibody-Drug Conjugates (ADCs) Polo-like Kinase (PLK) NOD-like Receptor (NLR) Toll-like Receptor (TLR) Drug-Linker Conjugates for ADC ADC Linker KLF PERK ULK METTL3 ADAMTS IGF-1R LOX-1 Nuclear Hormone Receptor 4A/NR4A FLT3

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-12324

SB269652	Dopamine Receptor	Neurological Disease
SB269652 is the first drug-like allosteric modulator of the dopamine D2 receptor (D2R); a new chemical probe that can differentiate D2R monomers from dimers or oligomers depending on the observed pharmacology.

HY-153947

PB089

Drug-Linker Conjugates for ADC Cancer

PB089 is a Drug-liker containing a PEG unit and a cleavable linker attached to Exatecan .

PB089	Drug-Linker Conjugates for ADC	Cancer
PB089 is a Drug-liker containing a PEG unit and a cleavable linker attached to Exatecan .

HY-156532

5-HT2C agonist-3	5-HT Receptor	Neurological Disease
5-HT2C agonist-3 ((+)-19) is a selective 5-HT2C agonist (EC₅₀: 24 nM, K_i: 78 nM). 5-HT2C agonist-3 has antipsychotic drug-like activity. 5-HT2C agonist-3 blocks Amphetamine-induced hyperactivity .

HY-156532A

5-HT2C agonist-3 free base	5-HT Receptor	Neurological Disease
5-HT2C agonist-3 ((+)-19) free base is a selective 5-HT2C agonist (EC₅₀: 24 nM, K_i: 78 nM). 5-HT2C agonist-3 free base has antipsychotic drug-like activity. 5-HT2C agonist-3 free base blocks Amphetamine-induced hyperactivity .

HY-153180

PB038

Drug-Linker Conjugates for ADC Cancer

PB038 is a Drug-liker containing a PEG unit and a cleavable linker attached to Exatecan .

PB038	Drug-Linker Conjugates for ADC	Cancer
PB038 is a Drug-liker containing a PEG unit and a cleavable linker attached to Exatecan .

HY-N10317

Toddacoumalone	Phosphodiesterase (PDE)	Inflammation/Immunology
Toddacoumalone is a natural inhibitor of phosphodiesterase 4 (PDE4) with moderate potency and imperfect agent-like properties. Toddacoumalone has the potential for the research of inflammatory diseases such as psoriasis .

HY-P3143

BMSpep-57	PD-1/PD-L1	Cancer
BMSpep-57 is a potent and competitive macrocyclic peptide inhibitor of PD-1/PD-L1 interaction with an IC₅₀ of 7.68 nM. BMSpep-57 binds to PD-L1 with K_ds of 19 nM and 19.88 nM in MST and SPR assays, respectively. BMSpep-57 facilitates T cell function by in creasing IL-2 production in PBMCs .

HY-148255

QN523	Apoptosis Autophagy	Cancer
QN523 is a novel scaffold with agent-like properties, showing potent in vitro cytotoxicity in a panel of 12 cancer cell lines. QN523 induces apoptosis and autophagy. QN523 can be used in research of cancer .

HY-P3143A

BMSpep-57 hydrochloride	PD-1/PD-L1	Cancer
BMSpep-57 hydrochloride is a potent and competitive macrocyclic peptide inhibitor of PD-1/PD-L1 interaction with an IC₅₀ of 7.68 nM. BMSpep-57 hydrochloride binds to PD-L1 with K_ds of 19 nM and 19.88 nM in MST and SPR assays, respectively. BMSpep-57 hydrochloride facilitates T cell function by in creasing IL-2 production in PBMCs .

HY-112090

ABBV-744 3 Publications Verification	Epigenetic Reader Domain HIV	Infection Inflammation/Immunology Cancer
ABBV-744 is a first-in-class, orally active and selective inhibitor of the BDII domain of BET family proteins with IC₅₀ values ranging from 4 to 18 nM for BRD2, BRD3, BRD4 and BRDT. ABBV-744 is primarily metabolized by CYP3A4 with agent-like properties enable the investigation of its antitumor efficacy and tolerability .

HY-144126

S1P1 agonist 5	LPL Receptor	Inflammation/Immunology
S1P1 agonist 5 is a selective and orally active S1P1 agonist. S1P1 agonist 5 inhibits the lymphocyte egress from the lymphoid tissue to the peripheral blood. S1P1 agonist 5 has the potential for the research of multiple sclerosis (MS) .

Cat. No.	Product Name

HY-L0113V

*1M Drug* Fragment-Based Diversity Library**	1,000,000 compounds
A diversity compound library contains 1,000,000 compounds with drug fragments. Each compound has at least one drug fragment. These selected molecules have 702,902 Bemis-Murcko Scaffolds (BMS) with drug-like chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.

HY-L910V

MegaUni 50K Virtual Diversity Library	50,000 compounds
MegaUni 50K Virtual Diversity Library consists of 50,000 novel, synthetically accessible, lead-like compounds. With MCE's 40,662 Building Blocks, covering around 273 reaction types, more than 40 million molecules were generated. Based on Morgan Fingerprint and Tanimoto Coefficient, molecular clustering analysis was carried out, and molecules closest to each clustering center were extracted to form a drug-like and synthesizable diversity library. The selected 50,000 drug-like molecules have 46,744 unique Bemis-Murcko Scaffolds (BMS), each containing only 1-3 compounds. This diverse library is highly recommended for virtual screening and novel lead discovery.

MegaUni 50K Virtual Diversity Library

50,000 compounds

MegaUni 50K Virtual Diversity Library consists of 50,000 novel, synthetically accessible, lead-like compounds. With MCE's 40,662 Building Blocks, covering around 273 reaction types, more than 40 million molecules were generated. Based on Morgan Fingerprint and Tanimoto Coefficient, molecular clustering analysis was carried out, and molecules closest to each clustering center were extracted to form a drug-like and synthesizable diversity library. The selected 50,000 drug-like molecules have 46,744 unique Bemis-Murcko Scaffolds (BMS), each containing only 1-3 compounds. This diverse library is highly recommended for virtual screening and novel lead discovery.

HY-L0103V

UORSY Screening Library	680,000 compounds
UORSY Screening Compounds Library contains about 680,000 compounds. The library has extensively developed a polymerization synthesis method that provides a highly diverse chemical structure. More than 85% of the compounds in the library have drug-like physicochemical properties, and more than 35% of the compounds have lead-like properties.

HY-L0093V

Chemspace Scaffold derived set	10,119 compounds
Diversity-based screening continues to be a vital tool for drug discovery. Efficiency and productivity can be improved by using screening libraries that offer maximum diversity whilst retaining drug-like properties. Chemspace Scaffold derived set composes 10,119 compounds, which including 3,373 scaffolds, 3 compounds per each. This library has exceptional coverage of drug-like chemical space.

Chemspace Scaffold derived set

10,119 compounds

Diversity-based screening continues to be a vital tool for drug discovery. Efficiency and productivity can be improved by using screening libraries that offer maximum diversity whilst retaining drug-like properties. Chemspace Scaffold derived set composes 10,119 compounds, which including 3,373 scaffolds, 3 compounds per each. This library has exceptional coverage of drug-like chemical space.

HY-L912V

MegaUni 10M Virtual Diversity Library	10,000,000 compounds
With MCE's 40,662 BBs, covering around 273 reaction types, more than 40 million molecules were generated. Compounds which comply with Ro5 criteria were selected. Inappropriate chemical structures, such as PAINS motifs and synthetically difficult accessible, were removed. Based on Morgan Fingerprint, molecular clustering analysis was carried out, and molecules close to each clustering center were extracted to form this drug-like and synthesizable diversity library. These selected molecules have 805,822 unique Bemis-Murcko Scaffolds (BMS) with diversified chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.

MegaUni 10M Virtual Diversity Library

10,000,000 compounds

With MCE's 40,662 BBs, covering around 273 reaction types, more than 40 million molecules were generated. Compounds which comply with Ro5 criteria were selected. Inappropriate chemical structures, such as PAINS motifs and synthetically difficult accessible, were removed. Based on Morgan Fingerprint, molecular clustering analysis was carried out, and molecules close to each clustering center were extracted to form this drug-like and synthesizable diversity library. These selected molecules have 805,822 unique Bemis-Murcko Scaffolds (BMS) with diversified chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.

HY-L0094V

Chinese National Compound Library	1,398,968 compounds
The Chinese National Compound Library (CNCL) composes 1.4 million compounds possessing diversified structures. Coupled with this library will be advanced sample handling, information management and quality control systems. Most compounds in the library are drug-like, conforming to “Lipinski’s Rule of Five”, such as MW < 500, logP < 5, Hydrogen Bond Donors < 5.

HY-L0091V

*Chemspace Lead-Like* Compound Library**	981,244 compounds
Chemspace Lead-Like Compound Library contains 981,244 in-Stock lead-like compoundswith favorable physicochemical profiles and high Quantitative Estimation of Drug-likeness.

HY-L137

Molecular Glue Compound Library	35 Compounds compounds
Targeted protein degradation(TPD) is a novel and promising approach to new drug discovery and development. It shows great potential for treating diseases with “undruggable” pathogenic protein targets and for overcoming drug resistance. Molecular glues and PROTACs are both targeted protein degraders that have attracted the most attention. Molecular glues are small molecular degraders that mainly induce novel interaction between an E3 ligase and a target protein to form a ternary complex, leading to protein ubiquitination and subsequent proteasome degradation. Compared with PROTACs, molecular glues generally possess more favorable drug-like properties, such as lower MW, higher cell permeability, and better oral absorption. Molecular glues are emerging as a promising new therapeutic strategy. MCE supplies a unique collection of 35 molecular glues which target various proteins. MCE Molecular Glue Compound Library is a useful tool to conduct scientific research and disease mechanism study.

Molecular Glue Compound Library

35 Compounds compounds

Targeted protein degradation(TPD) is a novel and promising approach to new drug discovery and development. It shows great potential for treating diseases with “undruggable” pathogenic protein targets and for overcoming drug resistance. Molecular glues and PROTACs are both targeted protein degraders that have attracted the most attention.

Molecular glues are small molecular degraders that mainly induce novel interaction between an E3 ligase and a target protein to form a ternary complex, leading to protein ubiquitination and subsequent proteasome degradation. Compared with PROTACs, molecular glues generally possess more favorable drug-like properties, such as lower MW, higher cell permeability, and better oral absorption. Molecular glues are emerging as a promising new therapeutic strategy.

MCE supplies a unique collection of 35 molecular glues which target various proteins. MCE Molecular Glue Compound Library is a useful tool to conduct scientific research and disease mechanism study.

HY-L0105V

InterBioScreen Synthetic Compounds Library	485,000 compounds
InterBioScreen Synthetic Compounds Library contains about 485,000 immediately available compounds. The library is generated by very rigorously selecting the most interesting classes of compounds that are most likely to become new drugs or plant protection agents or veterinary preparations.

HY-L0087V

Life Chemicals HTS Compound Collection	494,471 compounds
Life Chemicals Collection of small organic molecules for high-throughput screening currently contains 494,471 off-the-shelf products. The Collection is being permanently replenished with de novo designed products having optimal physicochemical parameters for drug discovery.

BMSpep-57 hydrochloride	PD-1/PD-L1	Cancer
BMSpep-57 hydrochloride is a potent and competitive macrocyclic peptide inhibitor of PD-1/PD-L1 interaction with an IC₅₀ of 7.68 nM. BMSpep-57 hydrochloride binds to PD-L1 with K_ds of 19 nM and 19.88 nM in MST and SPR assays, respectively. BMSpep-57 hydrochloride facilitates T cell function by in creasing IL-2 production in PBMCs .

BMSpep-57	PD-1/PD-L1	Cancer
BMSpep-57 is a potent and competitive macrocyclic peptide inhibitor of PD-1/PD-L1 interaction with an IC₅₀ of 7.68 nM. BMSpep-57 binds to PD-L1 with K_ds of 19 nM and 19.88 nM in MST and SPR assays, respectively. BMSpep-57 facilitates T cell function by in creasing IL-2 production in PBMCs .

Toddacoumalone	Structural Classification other families Classification of Application Fields Source classification Coumarins Phenylpropanoids Plants Inflammation/Immunology Disease Research Fields	Phosphodiesterase (PDE)
Toddacoumalone is a natural inhibitor of phosphodiesterase 4 (PDE4) with moderate potency and imperfect agent-like properties. Toddacoumalone has the potential for the research of inflammatory diseases such as psoriasis .

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