GR 113808 (CHEBI:73380)

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ChEBI Name	GR 113808

ChEBI ID	CHEBI:73380

Definition	An indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Margaret Duesbury

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Formula

C19H27N3O4S

Net Charge

Average Mass

393.50000

Monoisotopic Mass

393.17223

InChI

InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3

InChIKey

MOZPSIXKYJUTKI-UHFFFAOYSA-N

SMILES

Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12

Roles Classification
Biological Role(s):	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

Application(s):	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

ChEBI Ontology
Outgoing	GR 113808 (CHEBI:73380) has role serotonergic antagonist (CHEBI:48279) GR 113808 (CHEBI:73380) is a indolyl carboxylate ester (CHEBI:46939) GR 113808 (CHEBI:73380) is a piperidines (CHEBI:26151) GR 113808 (CHEBI:73380) is a sulfonamide (CHEBI:35358)

IUPAC Name

(1-{2-[(methylsulfonyl)amino]ethyl}piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate

Citation	Type	Source
23597562	PubMed citation	Europe PMC

Last Modified

25 February 2016