pyrrolidine MCHR1 antagonist 1 - Moligand™ , Antagonist of MCH 1 receptor, CAS No.P613030, Antagonist of MCH 1 receptor

CAS: P613030 Cat. No.: P613030 PubChem CID: 54579974

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of MCH 1 receptor

Names and Identifiers

• Canonical Smiles: COc1ccc(cc1)[C@H]1CN(C[C@@H]1CC(=O)Nc1cccc(c1)Cl)CCC1(O)CCOCC1
• IUPAC Name: N-(3-chlorophenyl)-2-[(3R,4S)-1-[2-(4-hydroxyoxan-4-yl)ethyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
• InChIKey: OLINDOIRFAZHRH-GBXCKJPGSA-N
• INCHI: 1S/C26H33ClN2O4/c1-32-23-7-5-19(6-8-23)24-18-29(12-9-26(31)10-13-33-14-11-26)17-20(24)15-25(30)28-22-4-2-3-21(27)16-22/h2-8,16,20,24,31H,9-15,17-18H2,1H3,(H,28,30)/t20-,24+/m0/s1
• Isomeric SMILES: COC1=CC=C(C=C1)[C@H]2CN(C[C@@H]2CC(=O)NC3=CC(=CC=C3)Cl)CCC4(CCOCC4)O
• PubChem CID: 54579974

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Anilides Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Oxanes N-alkylpyrrolidines 1,3-aminoalcohols Pyrroles Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyrrolidine - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - N-alkylpyrrolidine - Pyrrole - Tertiary alcohol - 1,3-aminoalcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)

Discover Target: KCNH2

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

MCHR1 Tchem Melanin-concentrating hormone receptor 1 (3 Activities)

Discover Target: MCHR1

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action