Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for relative binding affinity to estrogen receptor. Q13-418a-0021. Molcode Ltd., 2009.
Compound
| ID: | 27 | |
|---|---|---|
| Name: | (5beta,8alpha,9beta,10alpha,17beta)-17-hydroxyandrostan-3-one | |
| Description: | ||
| Labels: | ||
| CAS: | 521-18-6 | |
| InChi Code: | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16-,17+,18-,19+/m1/s1 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -2.89 |
experimental value |
| -3.34 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |