Ligand id: 5209

Name: letrozole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 78.29
Molecular weight 285.1
XLogP 3.01
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. Mayhoub AS, Marler L, Kondratyuk TP, Park EJ, Pezzuto JM, Cushman M. (2012)
Optimization of the aromatase inhibitory activities of pyridylthiazole analogues of resveratrol.
Bioorg. Med. Chem., 20 (7): 2427-34. [PMID:22386564]
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]