anastrozole (CHEBI:2704)

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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

Average Mass

293.36630

Monoisotopic Mass

293.16405

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.

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)

Incoming	1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium (CHEBI:143328) has functional parent anastrozole (CHEBI:2704)

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

Last Modified

22 February 2017