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CHEBI:2704 - anastrozole

Default Structure
ChEBI IDCHEBI:2704
ChEBI Nameanastrozole
Stars
DefinitionA 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position.
Last Modified22 February 2017
DownloadsMolfile
FormulaC17H19N5
Net Charge0
Average Mass293.374
Monoisotopic Mass293.16405
SMILESCC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1
InChIInChI=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
InChIKeyYBBLVLTVTVSKRW-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.
Applications:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
anastrozole (CHEBI:2704) has role antihypertensive agent (CHEBI:35674)
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) has role geroprotector (CHEBI:176497)
anastrozole (CHEBI:2704) is a nitrile (CHEBI:18379)
anastrozole (CHEBI:2704) is a triazoles (CHEBI:35727)
Incoming Relation(s)
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
anastrozoleKEGG DRUG
Synonyms  Source
AnastrozolDrugBank
ICI D1033ChEMBL
ICI-D1033ChEMBL
NSC-719344ChEMBL
NSC-759855ChEMBL
Rvg-106400ChEMBL
Brand Name  Source
NastrosaChEMBL
Manual XrefsDatabases
210DrugCentral
AnastrozoleWikipedia
C08159KEGG COMPOUND
D00960KEGG DRUG
DB01217DrugBank
EP296749Patent
LSM-5631LINCS
US4935437Patent
Registry NumbersSources
Beilstein:8005958Beilstein
CAS:120511-73-1ChemIDplus
CAS:120511-73-1KEGG COMPOUND
CAS:120511-73-1KEGG DRUG
CAS:120511-73-1DrugBank
Citations