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CHEBI:253342 - alosetron

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ChEBI Name alosetron
ChEBI ID CHEBI:253342
Definition A pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H18N4O
Net Charge 0
Average Mass 294.35100
Monoisotopic Mass 294.148
InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKey JSWZEAMFRNKZNL-UHFFFAOYSA-N
SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C
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): gastrointestinal drug
A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alosetron (CHEBI:253342) has role antiemetic (CHEBI:50919)
alosetron (CHEBI:253342) has role gastrointestinal drug (CHEBI:55324)
alosetron (CHEBI:253342) has role serotonergic antagonist (CHEBI:48279)
alosetron (CHEBI:253342) is a imidazoles (CHEBI:24780)
alosetron (CHEBI:253342) is a pyridoindole (CHEBI:48888)
Incoming alosetron hydrochloride (CHEBI:53783) has part alosetron (CHEBI:253342)
IUPAC Name
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one
INN Source
alosetron KEGG DRUG
Synonym Source
2,3,4,5-Tetrahydro-5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-1H-pyrido(4,3-b)indol-1-one ChemIDplus
Database Links Databases
Alosetron Wikipedia
D07129 KEGG DRUG
DB00969 DrugBank
EP306323 Patent
LSM-5576 LINCS
US5360800 Patent
View more database links
Registry Numbers Types Sources
122852-42-0 CAS Registry Number DrugBank
122852-42-0 CAS Registry Number ChemIDplus
122852-42-0 CAS Registry Number KEGG DRUG
7140558 Beilstein Registry Number Beilstein
Last Modified
25 February 2016