CHEBI:6413 - letrozole

ChEBI IDCHEBI:6413
ChEBI Nameletrozole
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC17H11N5
Net Charge0
Average Mass285.310
Monoisotopic Mass285.10145
SMILESN#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1
InChIInChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
InChIKeyHPJKCIUCZWXJDR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
EC 1.14.14.14 (aromatase) inhibitor  An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
letrozole (CHEBI:6413) has role antineoplastic agent (CHEBI:35610)
letrozole (CHEBI:6413) has role EC 1.14.14.14 (aromatase) inhibitor (CHEBI:50790)
letrozole (CHEBI:6413) is a nitrile (CHEBI:18379)
letrozole (CHEBI:6413) is a triazoles (CHEBI:35727)
IUPAC Name 
4,4'-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile
INN  Source
letrozoleDrugBank
Synonyms  Source
LetrozoleKEGG COMPOUND
LetrozolDrugBank
Brand Name  Source
FemaraDrugBank
Manual XrefsDatabases
C08163KEGG COMPOUND
D00964KEGG DRUG
DB01006DrugBank
EP236940Patent
US4978672Patent
LetrozoleWikipedia
LSM-3980LINCS
1556DrugCentral
Registry NumbersSources
Beilstein:6813913Beilstein
CAS:112809-51-5KEGG COMPOUND
CAS:112809-51-5ChemIDplus