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CHEBI:64114 - GR 127935

ChEBI IDCHEBI:64114
ChEBI NameGR 127935
Stars
DefinitionA member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration.
Last Modified19 February 2024
SubmitterSteve
DownloadsMolfile
FormulaC29H31N5O3
Net Charge0
Average Mass497.599
Monoisotopic Mass497.24269
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
InChIKeyYDBCEBYHYKAFRX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Application:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
ChEBI Ontology
Outgoing Relation(s)
GR 127935 (CHEBI:64114) has role serotonergic antagonist (CHEBI:48279)
GR 127935 (CHEBI:64114) is a N-alkylpiperazine (CHEBI:46845)
GR 127935 (CHEBI:64114) is a N-arylpiperazine (CHEBI:46848)
GR 127935 (CHEBI:64114) is a 1,2,4-oxadiazole (CHEBI:46809)
GR 127935 (CHEBI:64114) is a benzamides (CHEBI:22702)
GR 127935 (CHEBI:64114) is conjugate base of GR 127935(1+) (CHEBI:64113)
Incoming Relation(s)
GR 127935(1+) (CHEBI:64113) is conjugate acid of GR 127935 (CHEBI:64114)
IUPAC Name 
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide
Synonyms  Source
GR127935ChemIDplus
2'-Methyl-4'-(5-methyl-(1,2,4)-oxadiazol-3-yl)biphenyl-4-carboxylic acid (4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)amideChemIDplus
GR-127935ChemIDplus
Manual XrefsDatabases
US5340810Patent
EP760665Patent
LSM-2243LINCS
Registry NumbersSources
Reaxys:7061533Reaxys
CAS:148672-13-3ChemIDplus
Citations