CHEBI:253342 - alosetron

ChEBI IDCHEBI:253342
ChEBI Namealosetron
Stars
DefinitionA pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position.
Last Modified22 February 2017
DownloadsMolfile
FormulaC17H18N4O
Net Charge0
Average Mass294.358
Monoisotopic Mass294.14806
SMILESCc1ncnc1CN1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=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)
InChIKeyJSWZEAMFRNKZNL-UHFFFAOYSA-N
Wikipedia
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.
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
alosetronKEGG 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-oneChemIDplus
Manual XrefsDatabases
129DrugCentral
AlosetronWikipedia
D07129KEGG DRUG
DB00969DrugBank
EP306323Patent
LSM-5576LINCS
US5360800Patent
Registry NumbersSources
Beilstein:7140558Beilstein
CAS:122852-42-0KEGG DRUG
CAS:122852-42-0ChemIDplus
CAS:122852-42-0DrugBank