CHEBI:64114 - GR 127935

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ChEBI Name GR 127935
ChEBI ID CHEBI:64114
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H31N5O3
Net Charge 0
Average Mass 497.58810
Monoisotopic Mass 497.24269
InChI InChI=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)
InChIKey YDBCEBYHYKAFRX-UHFFFAOYSA-N
SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing GR 127935 (CHEBI:64114) is a 1,2,4-oxadiazole (CHEBI:46809)
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 benzamides (CHEBI:22702)
GR 127935 (CHEBI:64114) is conjugate base of GR 127935(1+) (CHEBI:64113)
Incoming 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 Sources
2'-Methyl-4'-(5-methyl-(1,2,4)-oxadiazol-3-yl)biphenyl-4-carboxylic acid (4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)amide ChemIDplus
GR-127935 ChemIDplus
GR127935 ChemIDplus
Manual Xrefs Databases
EP760665 Patent
LSM-2243 LINCS
US5340810 Patent
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Registry Numbers Types Sources
148672-13-3 CAS Registry Number ChemIDplus
7061533 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18952090 PubMed citation Europe PMC
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Last Modified
24 February 2016