Search Result

Results for "

pharmacophore

" in MedChemExpress (MCE) Product Catalog:

By Targets:	5-HT Receptor (1) ADC Linker (1) Bacterial (1) Beta-lactamase (1) Drug-Linker Conjugates for ADC (1) EGFR (2) Ferroptosis (1) mGluR (1) Monoamine Oxidase (2) NAMPT (1) Opioid Receptor (1) P-glycoprotein (1) Parasite (1) Potassium Channel (2) PSMA (1) SARS-CoV (4)
By Research Areas:	Cancer (9) Infection (5) Inflammation/Immunology (2) Metabolic Disease (1) Neurological Disease (3)

Inhibitors & Agonists

Screening Libraries

Peptides

Natural
Products

Isotope-Labeled Compounds

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-117878

ML345	Others	Metabolic Disease
ML345 is a potent and selective insulin-degrading enzyme (IDE) small-molecule inhibitor, with an IC₅₀ value of 188 nM. ML345 can be for use as a pharmacophore for agent development in diabetes research .

HY-147287

Glu-urea-Glu-NHS ester	PSMA	Cancer
Glu-urea-Glu-NHS ester (compound 21) is an activated N-hydroxysuccinamide (NHS) ester of Glu-urea-Glu which can be used as a pharmacophore for linking with prostate specific membrane antigen (PSMA) inhibitors .

HY-135235

Cysteine thiol probe	Others	Others
Cysteine Thiol Probe is a thiol-based probe designed to label electrophilic natural products. Cysteine Thiol Probe possesses each of the characteristics of an ideal pharmacophore probe, and has a chromophore. Cysteine Thiol Probe is capable of engaging enone-, β-lactam-, and β-lactone-based electrophilic metabolites .

HY-101422

GAL-021 5+ Cited Publications	Potassium Channel	Inflammation/Immunology
GAL-021 is a potent BK_Ca-channel blocker. GAL-021 inhibits K_Ca1.1 in GH3 cells. GAL-021 is a novel breathing control modulator that is based on selective modification of the almitrine pharmacophore. GAL-021 increases minute ventilation in rats and non-human primates .

HY-101422A

GAL-021 sulfate	Potassium Channel	Inflammation/Immunology
GAL-021 sulfate is a potent BK_Ca-channel blocker. GAL-021 sulfate inhibits K_Ca1.1 in GH3 cells. GAL-021 sulfate is a novel breathing control modulator that is based on selective modification of the almitrine pharmacophore. GAL-021 sulfate increases minute ventilation in rats and non-human primates .

HY-19930

Vaborbactam Maximum Cited Publications 25 Publications Verification RPX7009	Beta-lactamase Bacterial	Infection
Vaborbactam (RPX7009) is a cyclic boronic acid pharmacophore β-lactamase inhibitor.

HY-N1246

Savinin

(-)-Savinin

Savinin is a lignan, whicn can serves as a valuable pharmacophore to exhibit anti-inflammatory effect .
HY-109036

Landipirdine

RO5025181; SYN120
5-HT Receptor Neurological Disease

Landipirdine is a selective antagonist of 5-HT₆R. Landipirdine has great effect on the hERG pharmacophore .

Savinin (-)-Savinin
Savinin is a lignan, whicn can serves as a valuable pharmacophore to exhibit anti-inflammatory effect .

Landipirdine RO5025181; SYN120	5-HT Receptor	Neurological Disease
Landipirdine is a selective antagonist of 5-HT₆R. Landipirdine has great effect on the hERG pharmacophore .

HY-117410

Vipivotide tetraxetan 5+ Cited Publications PSMA-617	Drug-Linker Conjugates for ADC	Cancer
Vipivotide tetraxetan (PSMA-617) is a high potent prostate-specific membrane antigen (PSMA) inhibitor, with a K_i of 0.37 nM. Vipivotide tetraxetan (PSMA-617) is designed consisting of three components: the pharmacophore Glutamate-urea-Lysine, the chelator DOTA able to complex both 68Ga or 177Lu, and a linker connecting these two entities. Glutamate-urea-Lysine is the selective pharmacophore to bind to prostate specific membrane antigen.

HY-W015490

1,4-Naphthoquinone 2 Publications Verification	Monoamine Oxidase	Cancer
1,4-Naphthoquinone is a potential pharmacophore for inhibition of both MAO (monoamine oxidase) and DNA topoisomerase activities, this latter associated with antitumor activity .

HY-16762

Artefenomel 2 Publications Verification OZ439	Parasite Ferroptosis SARS-CoV	Infection
Artefenomel (OZ439) is an orally active, synthetic anti-malarial compound containing an artemisinin pharmacophore with a mechanism of action similar to that of artemisinin. Artefenomel has antiviral activity against SARS-CoV-2 .

HY-144798

FWM-5	SARS-CoV	Infection
FWM-5 is a potent NSP13 helicase inhibitor. SARS-COV-2 NSP13 helicase enzyme plays crucial role in the virus life cycle. FWM-5 has the potential for the research of infection diseases .

HY-144799

FWM-4

SARS-CoV Infection

FWM-4 is a potent SARS-COV-2 NSP13 helicase enzyme inhibitor .

FWM-4	SARS-CoV	Infection
FWM-4 is a potent SARS-COV-2 NSP13 helicase enzyme inhibitor .

HY-W015490S

1,4-Naphthoquinone-d6	Monoamine Oxidase	Cancer
1,4-Naphthoquinone-d₆ is the deuterium labeled 1,4-Naphthoquinone[1]. 1,4-Naphthoquinone is a potential pharmacophore for inhibition of both MAO (monoamine oxidase) and DNA topoisomerase activities, this latter associated with antitumor activity[2].

HY-N144114

P-gp inhibitor 2	P-glycoprotein	Cancer
P-gp inhibitor 2 is a potent P-gp inhibitor. P-gp inhibitor 2 shows reverse Doxorubicin resistance (IC₅₀=0.22 µM) in P-gp overexpressing human colorectal carcinoma cells (SW600 Ad300) .

HY-144800

FWM-1	SARS-CoV	Infection
FWM-1 is a potent SARS-COV-2 NSP13 helicase enzyme inhibitor with binding free energy equals -328.6 kcal/mol. FWM-1 effectively disrupts the binding of ATP to the SARS-COV2 helicase enzyme .

HY-43869

Vipivotide tetraxetan Ligand-Linker Conjugate PSMA-617 Ligand-Linker Conjugate	ADC Linker	Cancer
Vipivotide tetraxetan Ligand-Linker Conjugate (PSMA-617 Ligand-Linker Conjugate) is a complex composed of pharmacophore group Glutamate-urea-Lysine peptide coupling linker, which can be used to synthesize Vipivotide tetraxetan (PSMA-617). Glutamate-urea-Lysine selectively binds to prostate-specific membrane antigen (PSMA) .

HY-P3223

Biphalin TFA	Opioid Receptor	Neurological Disease
Biphalin TFA, a BBB-penetrable opioid peptide analog, contains two active enkephalin pharmacophores. Biphalin TFA has high affinity for opioid receptors. Biphalin TFA shows analgesic effect in acute, neuropathic, and chronic animal pain models. Biphalin TFA is also an antiviral, antiproliferative, anti-inflammatory, and neuroprotective agent .

HY-118851

NSC-77053

Others Others

NSC-77053 is a potent BoNT/E inhibitor with an IC₅₀ and a K_i of 2.4 μM and 1.29 μM, respectively .

NSC-77053	Others	Others
NSC-77053 is a potent BoNT/E inhibitor with an IC₅₀ and a K_i of 2.4 μM and 1.29 μM, respectively .

HY-147756

Nampt-IN-7	NAMPT	Cancer
Nampt-IN-7 (compound GF8) is a potent NAMPT inhibitor, with an IC₅₀ of 7.31 μM. Nampt-IN-7 also displays cytotoxic activity against human HepG2 hepatocellular carcinoma cell line with an IC₅₀ of 24.28 μM .

HY-155726

Cy-FBP/SBPase-IN-1	Others	Others
Cy-FBP/SBPase-IN-1 (compound S5) is a Cy-FBP/SBPase inhibitor, which is an important regulatory enzyme in cyanobacterial photosynthesis. Thus Cy-FBP/SBPase-IN-1 inhibits Calvin cycle and photosystem, and decreases photosynthetic efficiency in cyanobacterial photosynthesis. Cy-FBP/SBPase-IN-1 potently inhibits the growth of cyanobacteria, as well as Synechocystis sp.PCC6803. Cy-FBP/SBPase-IN-1 shows safety profile in human-derived cells and zebrafish models .

HY-151158

EGFR/HER2-IN-7	EGFR	Cancer
EGFR/HER2-IN-7 is a potent anticancer agent with high selectivity against MCF-7 breast cancer cells. EGFR/HER2-IN-7 is a EGFR/HER2 kinase and DHFR inhibitor, with IC₅₀s of 0.18 μM (EGFR), 0.146 μM (HER2), respectively. EGFR/HER2-IN-7 shows moderate inhibition on DHFR (IC₅₀=0.907 μM) .

HY-151154

EGFR/HER2/DHFR-IN-1	EGFR	Cancer
EGFR/HER2/DHFR-IN-1 is a potent anticancer agent with high selectivity against MCF-7 breast cancer cells. EGFR/HER2/DHFR-IN-1 is a multiple inhibitor of EGFR/HER2 kinase and DHFR, with IC₅₀s of 0.153 μM, 0.108 μM, 0.291 μM, respectively. EGFR/HER2/DHFR-IN-1 arrests cell cycle at G1/S and induces cells apoptosis .

HY-130630

mGluR2 modulator 1	mGluR	Neurological Disease
mGluR2 modulator 1 (compound 95) is a potent and BBB-penetrated mGluR2 (metabotropic glutamate receptor-2) positive allosteric modulator, with an EC₅₀ of 0.03 μM. mGluR2 modulator 1 can be used for psychosis research .

Cat. No.	Product Name

HY-L0120V

Asinex BioDesign Library	170,269 compounds
“BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates. Saturated, fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. This library addressed this market need by incorporating these privileged elements into the design of novel synthetic molecules with high molecular framework diversity, multiple stereogenic centers (≥2), and degree of saturation (Fsp3 > 0.5).

Asinex BioDesign Library

170,269 compounds

“BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates.

Saturated, fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. This library addressed this market need by incorporating these privileged elements into the design of novel synthetic molecules with high molecular framework diversity, multiple stereogenic centers (≥2), and degree of saturation (Fsp3 > 0.5).

HY-L033

Peptidomimetic Library	376 compounds
Peptidomimetics are compounds whose essential elements (pharmacophore) mimic a natural peptide or protein in 3D space and which retain the ability to interact with the biological target and produce the same biological effect. Peptidomimetics are designed to circumvent some of the problems associated with a natural peptide: e.g. stability against proteolysis (duration of activity) and poor bioavailability. Certain other properties, such as receptor selectivity or potency, often can be substantially improved. The design and synthesis of peptidomimetics are most important because of the dominant position peptide and protein-protein interactions play in molecular recognition and signaling, especially in living systems. Hence mimics have great potential in drug discovery. MCE Peptidomimetic Library contains 376 compounds including peptoid, α-helix mimetics, β-turn/sheets mimetics, etc. This library is an indispensable tool of structure-activity relationships in drug discovery.

Peptidomimetic Library

376 compounds

Peptidomimetics are compounds whose essential elements (pharmacophore) mimic a natural peptide or protein in 3D space and which retain the ability to interact with the biological target and produce the same biological effect. Peptidomimetics are designed to circumvent some of the problems associated with a natural peptide: e.g. stability against proteolysis (duration of activity) and poor bioavailability. Certain other properties, such as receptor selectivity or potency, often can be substantially improved. The design and synthesis of peptidomimetics are most important because of the dominant position peptide and protein-protein interactions play in molecular recognition and signaling, especially in living systems. Hence mimics have great potential in drug discovery.

MCE Peptidomimetic Library contains 376 compounds including peptoid, α-helix mimetics, β-turn/sheets mimetics, etc. This library is an indispensable tool of structure-activity relationships in drug discovery.

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-L0104V

UORSY New Generation Screening Library	1,900,000 compounds
UORSY New Generation Screening Library contains about 1,900,000 compounds. The library is a revolutionary collection of lead-like molecules with outstanding structural quality and diversity—New Generation Screening Library (NGSL). Its core is decorated with interesting building blocks, including important medicinal fragments such as peptide bonds, amino groups and hydroxyl groups. and designed for discovery of new Voltage-gated calcium channel blockers.

UORSY New Generation Screening Library

1,900,000 compounds

UORSY New Generation Screening Library contains about 1,900,000 compounds. The library is a revolutionary collection of lead-like molecules with outstanding structural quality and diversity—New Generation Screening Library (NGSL). Its core is decorated with interesting building blocks, including important medicinal fragments such as peptide bonds, amino groups and hydroxyl groups. and designed for discovery of new Voltage-gated calcium channel blockers.

Biphalin TFA	Opioid Receptor	Neurological Disease
Biphalin TFA, a BBB-penetrable opioid peptide analog, contains two active enkephalin pharmacophores. Biphalin TFA has high affinity for opioid receptors. Biphalin TFA shows analgesic effect in acute, neuropathic, and chronic animal pain models. Biphalin TFA is also an antiviral, antiproliferative, anti-inflammatory, and neuroprotective agent .

Cat. No.	Product Name	Category	Target	Chemical Structure