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CHEBI:64069 - SB 224289

ChEBI IDCHEBI:64069
ChEBI NameSB 224289
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 with the secondary amino group of 1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidine]. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo.
Last Modified6 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC32H32N4O3
Net Charge0
Average Mass520.633
Monoisotopic Mass520.24744
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1
InChIInChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
InChIKeyATQMRMGXINTJHV-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)
SB 224289 (CHEBI:64069) has role serotonergic antagonist (CHEBI:48279)
SB 224289 (CHEBI:64069) is a 1,2,4-oxadiazole (CHEBI:46809)
SB 224289 (CHEBI:64069) is a azaspiro compound (CHEBI:35624)
SB 224289 (CHEBI:64069) is a benzamides (CHEBI:22702)
SB 224289 (CHEBI:64069) is a organic heterotetracyclic compound (CHEBI:38163)
SB 224289 (CHEBI:64069) is conjugate base of SB 224289(1+) (CHEBI:64071)
Incoming Relation(s)
SB 224289(1+) (CHEBI:64071) is conjugate acid of SB 224289 (CHEBI:64069)
IUPAC Name 
(1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methanone
Synonym  Source
SB224289ChEBI
Manual XrefsDatabases
US5972951Patent
Registry NumbersSources
CAS:180083-23-2Reaxys
Citations