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CHEBI:64067 - SB 224289 hydrochloride

ChEBI IDCHEBI:64067
ChEBI NameSB 224289 hydrochloride
Stars
DefinitionA hydrochloride that is the monohydrochloride salt of SB 224289. 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 Modified1 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC32H32N4O3.HCl
Net Charge0
Average Mass557.094
Monoisotopic Mass556.22412
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1.Cl
InChIInChI=1S/C32H32N4O3.ClH/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;1H
InChIKeyGKGKBZYMDILCOF-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.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
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 hydrochloride (CHEBI:64067) has part SB 224289(1+) (CHEBI:64071)
SB 224289 hydrochloride (CHEBI:64067) has role prodrug (CHEBI:50266)
SB 224289 hydrochloride (CHEBI:64067) has role serotonergic antagonist (CHEBI:48279)
SB 224289 hydrochloride (CHEBI:64067) is a hydrochloride (CHEBI:36807)
IUPAC Names 
(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 hydrochloride
1'-methyl-5-{[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl}-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidinium] chloride
Registry NumbersSources
Reaxys:8248456Reaxys
Citations