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CHEBI:64083 - RS 39604

ChEBI IDCHEBI:64083
ChEBI NameRS 39604
Stars
DefinitionAn aromatic ether that is the 3,5-dimethoxybenzyl derivative of N-(2-{4-[3-(4-amino-5-chloro-2-hydroxyphenyl)-3-oxopropyl]piperidin-1-yl}ethyl)methanesulfonamide. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and α1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies.
Last Modified24 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC26H36ClN3O6S
Net Charge0
Average Mass554.109
Monoisotopic Mass553.20133
SMILESCOc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1
InChIInChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3
InChIKeyBKVIWGRFRKLFIO-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)
RS 39604 (CHEBI:64083) has role serotonergic antagonist (CHEBI:48279)
RS 39604 (CHEBI:64083) is a aromatic ether (CHEBI:35618)
RS 39604 (CHEBI:64083) is a aromatic ketone (CHEBI:76224)
RS 39604 (CHEBI:64083) is a monochlorobenzenes (CHEBI:83403)
RS 39604 (CHEBI:64083) is a piperidines (CHEBI:26151)
RS 39604 (CHEBI:64083) is a sulfonamide (CHEBI:35358)
Synonyms  Source
RS-67506ChEBI
RS67506ChEBI
Manual XrefsDatabases
LSM-2461LINCS
Registry NumbersSources
Reaxys:8524141Reaxys
Citations