Ligand id: 1016

Name: tamoxifen

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 12.47
Molecular weight 371.22
XLogP 10.76
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Burris TP, Solt LA, Wang Y, Crumbley C, Banerjee S, Griffett K, Lundasen T, Hughes T, Kojetin DJ. (2013)
Nuclear receptors and their selective pharmacologic modulators.
Pharmacol. Rev., 65 (2): 710-78. [PMID:23457206]
2. Flockhart DA. 
Drug Interactions: Cytochrome P450 Drug Interaction Table. Indiana University School of Medicine (2007).
Accessed on 18/11/2014. Modified on 18/11/2014. http://medicine.iupui.edu/clinpharm/ddis/clinical-table/
3. 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.
Endocrinology, 138 (3): 863-70. [PMID:9048584]
4. Thomas P, Pang Y, Filardo EJ, Dong J. (2005)
Identity of an estrogen membrane receptor coupled to a G protein in human breast cancer cells.
Endocrinology, 146: 624-632. [PMID:15539556]