anastrozole   Click here for help

GtoPdb Ligand ID: 5137

Synonyms: Arimidex®
Approved drug
anastrozole is an approved drug (FDA (1995))
Compound class: Synthetic organic
Comment: Anastrozole decreases the amount of estrogens that the body makes by inhibiting the enzyme aromatase, which is responsible for converting androgens to estrogens in females.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 78.29
Molecular weight 293.16
XLogP 2.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C
Isomeric SMILES N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C
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
InChI Key YBBLVLTVTVSKRW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
International Nonproprietary Names Click here for help
INN number INN
7274 anastrozole
Synonyms Click here for help
Arimidex®
Database Links Click here for help
CAS Registry No. 120511-73-1
ChEMBL Ligand CHEMBL1399
DrugBank Ligand DB01217
DrugCentral Ligand 210
GtoPdb PubChem SID 178101829
PubChem CID 2187
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Wikipedia Anastrazole

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Tocris
Anastrozole
Cat. No. 3388