LY-310762 hydrochloride (CHEBI:140935)

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CHEBI:140935 - LY-310762 hydrochloride

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ChEBI ID	CHEBI:140935
ChEBI Name	LY-310762 hydrochloride
Stars
Definition	A hydrochloride resulting from the formal reation of equimolar amount of LY-310762 with hydrogen chloride. A potent and selective antagonist for the 5-hydroxytryptamine 1D (5-HT_1D) receptor.
Last Modified	5 June 2018
Submitter	Ceri
Downloads	Molfile

Formula	C24H27FN2O2.HCl
Net Charge	0
Average Mass	430.951
Monoisotopic Mass	430.18233
SMILES	CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.Cl
InChI	InChI=1S/C24H27FN2O2.ClH/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;1H
InChIKey	BOCLFQZPFYNVFD-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:	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 hydrochloride (CHEBI:140935) has part LY-310762(1+) (CHEBI:140938)
	LY-310762 hydrochloride (CHEBI:140935) has role receptor modulator (CHEBI:90710)
	LY-310762 hydrochloride (CHEBI:140935) has role serotonergic antagonist (CHEBI:48279)
	LY-310762 hydrochloride (CHEBI:140935) is a hydrochloride (CHEBI:36807)

IUPAC Names
1-[2-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-fluorobenzoyl)piperidinium chloride
1-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-one hydrochloride

Synonyms	Source
1-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-1,3-dihydro-3,3-dimethyl-2H-indol-2-one hydrochloride	SUBMITTER
LY-310762 HCl	ChEBI
LY310762 HCl	ChEBI
LY-310,762 hydrochloride	SUBMITTER
LY-310762 hydrochloride	ChEBI
LY310762 hydrochloride	SUBMITTER