Ligand id: 5137

Name: anastrozole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 78.29
Molecular weight 293.16
XLogP 1.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bhatnagar AS, Häusler A, Schieweck K, Lang M, Bowman R. (1990)
Highly selective inhibition of estrogen biosynthesis by CGS 20267, a new non-steroidal aromatase inhibitor.
J. Steroid Biochem. Mol. Biol., 37 (6): 1021-7. [PMID:2149502]
2. Muftuoglu Y, Mustata G. (2010)
Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).
Bioorg. Med. Chem. Lett., 20 (10): 3050-64. [PMID:20413308]
3. Plourde PV, Dyroff M, Dukes M. (1994)
Arimidex: a potent and selective fourth-generation aromatase inhibitor.
Breast Cancer Res. Treat., 30 (1): 103-11. [PMID:7949201]