fabesetron (CHEBI:31588)

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CHEBI:31588 - fabesetron

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ChEBI ID	CHEBI:31588
ChEBI Name	fabesetron
Stars
Definition	An organic heterotricyclic compound that is 8,9-dihydropyrido[1,2-a]indol-6(7H)-one substituted by a (5-methyl-1H-imidazol-4-yl)methyl group at position 7R and a methyl group at position 10. It is a dual 5-HT3 and 5-HT4 receptors antagonist whose clinical development was terminated in phase II. It was being developed for the treatment of chemotherapy-induced emesis and irritable bowel syndrome.
Last Modified	11 December 2019
Downloads	Molfile

Formula	C18H19N3O
Net Charge	0
Average Mass	293.370
Monoisotopic Mass	293.15281
SMILES	Cc1ncnc1C[C@H]1CCc2c(C)c3ccccc3n2C1=O
InChI	InChI=1S/C18H19N3O/c1-11-14-5-3-4-6-17(14)21-16(11)8-7-13(18(21)22)9-15-12(2)19-10-20-15/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKey	AEKQMJRJRAHOAP-CYBMUJFWSA-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. antiemetic A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors.

ChEBI Ontology

Outgoing Relation(s)
	fabesetron (CHEBI:31588) has role antiemetic (CHEBI:50919)
	fabesetron (CHEBI:31588) has role serotonergic antagonist (CHEBI:48279)
	fabesetron (CHEBI:31588) is a imidazoles (CHEBI:24780)
	fabesetron (CHEBI:31588) is a organic heterotricyclic compound (CHEBI:26979)

IUPAC Name
(7R)-10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydropyrido[1,2-a]indol-6(7H)-one

INNs	Source
fabesetron	WHO MedNet
fabesetrón	WHO MedNet
fabésétron	WHO MedNet
fabesetronum	WHO MedNet

Synonyms	Source
FK 1052	ChEBI
FK-1052	ChEBI
FK1052	ChEBI
(+)-(R)-8,9-dihydro-10-methyl-7-((5-methylimidazol-4-yl)methyl)pyrido[1,2-a]indol-6(7H)-one	ChemIDplus

Registry Numbers	Sources
CAS:129300-27-2	ChemIDplus

Citations