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CHEBI:140937 - LY-310762

ChEBI IDCHEBI:140937
ChEBI NameLY-310762
Stars
DefinitionA member of the class of oxindoles that is 1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-one in which the ethyl group has been substituted at position 2 by a 4-(p-fluorobenzoyl)piperidin-1-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 1D (5-HT1D) receptor.
Last Modified5 June 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H27FN2O2
Net Charge0
Average Mass394.490
Monoisotopic Mass394.20566
SMILESCC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H27FN2O2/c1-24(2)20-5-3-4-6-21(20)27(23(24)29)16-15-26-13-11-18(12-14-26)22(28)17-7-9-19(25)10-8-17/h3-10,18H,11-16H2,1-2H3
InChIKeyKDXISMANFPJVJY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Applications:
receptor modulator  A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors.
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)
LY-310762 (CHEBI:140937) has role receptor modulator (CHEBI:90710)
LY-310762 (CHEBI:140937) has role serotonergic antagonist (CHEBI:48279)
LY-310762 (CHEBI:140937) is a aromatic ketone (CHEBI:76224)
LY-310762 (CHEBI:140937) is a monofluorobenzenes (CHEBI:83575)
LY-310762 (CHEBI:140937) is a oxindoles (CHEBI:38459)
LY-310762 (CHEBI:140937) is a piperidines (CHEBI:26151)
LY-310762 (CHEBI:140937) is a tertiary amino compound (CHEBI:50996)
LY-310762 (CHEBI:140937) is conjugate base of LY-310762(1+) (CHEBI:140938)
Incoming Relation(s)
LY-310762(1+) (CHEBI:140938) is conjugate acid of LY-310762 (CHEBI:140937)
IUPAC Name 
1-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-one
Synonyms  Source
LY310762ChEBI
LY-310,762ChEBI
LY 310762ChEBI
Manual XrefsDatabases
LY-310762Wikipedia
Citations