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CHEBI:140937 - LY-310762

Default Structure
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:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
receptor modulator  A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors.
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
LY 310762ChEBI
LY-310,762ChEBI
LY310762ChEBI
Manual XrefsDatabases
LY-310762Wikipedia
Citations