CHEBI:2704 - anastrozole

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ChEBI Name anastrozole
ChEBI ID CHEBI:2704
Definition A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H19N5
Net Charge 0
Average Mass 293.36630
Monoisotopic Mass 293.164
InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
InChIKey YBBLVLTVTVSKRW-UHFFFAOYSA-N
SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N
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.
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ChEBI Ontology
Outgoing anastrozole (CHEBI:2704) has role antineoplastic agent (CHEBI:35610)
anastrozole (CHEBI:2704) has role EC 1.14.14.14 (aromatase) inhibitor (CHEBI:50790)
anastrozole (CHEBI:2704) is a nitrile (CHEBI:18379)
anastrozole (CHEBI:2704) is a triazoles (CHEBI:35727)
IUPAC Name
2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile)
INN Source
anastrozole KEGG DRUG
Synonyms Sources
α,α,α',α'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile ChemIDplus
Anastrozol DrugBank
Manual Xrefs Databases
210 DrugCentral
Anastrozole Wikipedia
C08159 KEGG COMPOUND
D00960 KEGG DRUG
DB01217 DrugBank
EP296749 Patent
LSM-5631 LINCS
US4935437 Patent
View more database links
Registry Numbers Types Sources
120511-73-1 CAS Registry Number DrugBank
120511-73-1 CAS Registry Number KEGG DRUG
120511-73-1 CAS Registry Number ChemIDplus
8005958 Beilstein Registry Number Beilstein
Last Modified
22 February 2017