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 )
Biological Role(s): serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Application(s): serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
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ChEBI Ontology
Outgoing GR 127935 (CHEBI:64114) has role serotonergic antagonist (CHEBI:48279)
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
19135047 PubMed citation Europe PMC
19356724 PubMed citation Europe PMC
19945477 PubMed citation Europe PMC
20152720 PubMed citation Europe PMC
20171242 PubMed citation Europe PMC
20385119 PubMed citation Europe PMC
20422941 PubMed citation Europe PMC
21262272 PubMed citation Europe PMC
21473863 PubMed citation Europe PMC
21653728 PubMed citation Europe PMC
21868165 PubMed citation Europe PMC
Last Modified
19 February 2024