JMV3008 - Moligand™ , Antagonist of ghrelin receptor, CAS No.925239-09-4, Antagonist of ghrelin receptor

CAS: 925239-09-4 Cat. No.: J611246 PubChem CID: 74015851

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of ghrelin receptor

Names and Identifiers

• Canonical Smiles: COc1ccc(c(c1)OC)n1c(nnc1n1cc(c2c1cccc2)CC)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1
• IUPAC Name: (2S)-N-[(1R)-1-[4-(2,4-dimethoxyphenyl)-5-(3-ethylindol-1-yl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
• InChIKey: YAWJYESYIAWFJX-URLMMPGGSA-N
• INCHI: 1S/C35H37N7O3/c1-4-22-21-41(30-14-8-6-11-26(22)30)35-40-39-33(42(35)31-16-15-24(44-2)19-32(31)45-3)29(38-34(43)28-13-9-17-36-28)18-23-20-37-27-12-7-5-10-25(23)27/h5-8,10-12,14-16,19-21,28-29,36-37H,4,9,13,17-18H2,1-3H3,(H,38,43)/t28-,29+/m0/s1
• Isomeric SMILES: CCC1=CN(C2=CC=CC=C21)C3=NN=C(N3C4=C(C=C(C=C4)OC)OC)[C@@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H]7CCCN7
• PubChem CID: 74015851

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Phenyl-1,2,4-triazoles 3-alkylindoles Dimethoxybenzenes Methoxyanilines Pyrrolidinecarboxamides Phenoxy compounds Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - Phenyltriazole - Phenyl-1,2,4-triazole - 3-alkylindole - Dimethoxybenzene - M-dimethoxybenzene - Indole or derivatives - Indole - Methoxyaniline - Pyrrolidine carboxylic acid or derivatives - Anisole - Phenoxy compound - Pyrrolidine-2-carboxamide - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Azole - Pyrrole - Pyrrolidine - Heteroaromatic compound - Triazole - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Secondary aliphatic amine - Azacycle - Secondary amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GHSR Tclin Growth hormone secretagogue receptor type 1 (1 Activities)

Discover Target: GHSR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)