CHEBI:6413 - letrozole

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ChEBI Name letrozole
ChEBI ID CHEBI:6413
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H11N5
Net Charge 0
Average Mass 285.30294
Monoisotopic Mass 285.101
InChI InChI=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
InChIKey HPJKCIUCZWXJDR-UHFFFAOYSA-N
SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
letrozole DrugBank
Synonyms Sources
Letrozol DrugBank
Letrozole KEGG COMPOUND
Brand Name Source
Femara DrugBank
Database Links Databases
1556 DrugCentral
C08163 KEGG COMPOUND
D00964 KEGG DRUG
DB01006 DrugBank
EP236940 Patent
Letrozole Wikipedia
LSM-3980 LINCS
US4978672 Patent
View more database links
Registry Numbers Types Sources
112809-51-5 CAS Registry Number KEGG COMPOUND
112809-51-5 CAS Registry Number ChemIDplus
6813913 Beilstein Registry Number Beilstein
Last Modified
22 February 2017