N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide - Moligand™ , Agonist of GPR52, CAS No.N609406, Agonist of GPR52

CAS: N609406 Cat. No.: N609406 PubChem CID: 44623954

GRADE & PURITY Moligand™

Synonyms

compound 7a

Storage

Room temperature

Specifications

Synonyms

compound 7a

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of GPR52

Names and Identifiers

• Canonical Smiles: OCCNC(=O)c1cccc(c1)c1cccc2c1cc(o2)Cc1cccc(c1)C(F)(F)F
• IUPAC Name: N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
• InChIKey: LBKIJSKRXVUWER-UHFFFAOYSA-N
• INCHI: 1S/C25H20F3NO3/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)
• Isomeric SMILES: C1=CC(=CC(=C1)C(F)(F)F)CC2=CC3=C(C=CC=C3O2)C4=CC(=CC=C4)C(=O)NCCO
• PubChem CID: 44623954

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Phenylbenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Phenylbenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzofurans
• Alternative Parents: Trifluoromethylbenzenes Benzamides N-acylethanolamines Benzoyl derivatives Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzofuran - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - N-acylethanolamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Carboxamide group - Secondary carboxylic acid amide - Alkanolamine - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Primary alcohol - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan.
• 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)

GPR52 Tchem G-protein coupled receptor 52 (2 Activities)

Discover Target: GPR52

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

Mechanisms of Action