raloxifene

Ligand id: 2820

Name: raloxifene

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 98.24
Molecular weight 473.17
XLogP 5.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Henke BR, Drewry DH, Jones SA, Stewart EL, Weaver SL, Wiethe RW. (2001)
2-Amino-4,6-diarylpyridines as novel ligands for the estrogen receptor.
Bioorg. Med. Chem. Lett.11 (14): 1939-42. [PMID:11459665]
2. Kuiper GG, Carlsson B, Grandien K, Enmark E, Häggblad J, Nilsson S, Gustafsson JA. (1997)
Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta.
Endocrinology138 (3): 863-70. [PMID:9048584]
3. Petrie WK, Dennis MK, Hu C, Dai D, Arterburn JB, Smith HO, Hathaway HJ, Prossnitz ER. (2013)
G protein-coupled estrogen receptor-selective ligands modulate endometrial tumor growth.
Obstet Gynecol Int2013: 472720. [PMID:24379833]
4. Stauffer SR, Coletta CJ, Tedesco R, Nishiguchi G, Carlson K, Sun J, Katzenellenbogen BS, Katzenellenbogen JA. (2000)
Pyrazole ligands: structure-affinity/activity relationships and estrogen receptor-alpha-selective agonists.
J. Med. Chem.43 (26): 4934-47. [PMID:11150164]