17β-estradiol

Ligand id: 1013

Name: 17β-estradiol

Abbreviated name: E2

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 40.46
Molecular weight 272.18
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
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. Jones SA, Moore LB, Shenk JL, Wisely GB, Hamilton GA, McKee DD, Tomkinson NC, LeCluyse EL, Lambert MH, Willson TM, Kliewer SA, Moore JT. (2000)
The pregnane X receptor: a promiscuous xenobiotic receptor that has diverged during evolution.
Mol. Endocrinol.14 (1): 27-39. [PMID:10628745]
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.
Endocrinology138 (3): 863-70. [PMID:9048584]
4. 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]
5. Revankar CM, Cimino DF, Sklar LA, Arterburn JB, Prossnitz ER. (2005)
A transmembrane intracellular estrogen receptor mediates rapid cell signaling.
Science307: 1625-1630. [PMID:15705806]
6. 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.
Endocrinology146: 624-632. [PMID:15539556]
7. Valverde MA, Rojas P, Amigo J, Cosmelli D, Orio P, Bahamonde MI, Mann GE, Vergara C, Latorre R. (1999)
Acute activation of Maxi-K channels (hSlo) by estradiol binding to the beta subunit.
Science285 (5435): 1929-31. [PMID:10489376]