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: | 221246-12-4 | |
|---|---|---|
| Name: | Fandosentan potassium salt | |
| Description: | ||
| Labels: | training | |
| CAS: | 221246-12-4 | |
| InChi Code: | InChI=1S/C25H18F3NO6S/c1-2-14-11-15(12-19-23(14)35-13-34-19)21-16-7-3-6-10-20(16)36(32,33)29(22(21)24(30)31)18-9-5-4-8-17(18)25(26,27)28/h3-12H,2,13H2,1H3,(H,30,31) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.306161662 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |