Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 52205-73-9 | |
|---|---|---|
| Name: | Estramustine phosphate sodium | |
| Description: | ||
| Labels: | eval | |
| CAS: | 52205-73-9 | |
| InChi Code: | InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.382663033 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |