EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64111 - GR 127935 hydrochloride

ChEBI IDCHEBI:64111
ChEBI NameGR 127935 hydrochloride
Stars
DefinitionA hydrochloride obtained by reaction of GR 127935 with one equivalent of hydrochloric acid. 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 Modified7 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC29H31N5O3.HCl
Net Charge0
Average Mass534.060
Monoisotopic Mass533.21937
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1.Cl
InChIInChI=1S/C29H31N5O3.ClH/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);1H
InChIKeySRVVUYIJVBLEJI-UHFFFAOYSA-N
Roles Classification
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 hydrochloride (CHEBI:64111) has part GR 127935(1+) (CHEBI:64113)
GR 127935 hydrochloride (CHEBI:64111) has role serotonergic antagonist (CHEBI:48279)
GR 127935 hydrochloride (CHEBI:64111) is a hydrochloride (CHEBI:36807)
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 hydrochloride
Synonyms  Source
GR127935 hydrochlorideChEBI
4-[2-methoxy-5-({[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl}amino)phenyl]-1-methylpiperazin-1-ium chlorideIUPAC
Registry NumbersSources
Reaxys:8530522Reaxys