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: | 16 | |
|---|---|---|
| Name: | (8alpha,9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-2,3,17-triol | |
| Description: | ||
| Labels: | ||
| CAS: | 362-05-0 | |
| InChi Code: | InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12-,14+,17-,18+/m1/s1 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| 1.47 |
experimental value |
| -0.0186 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |