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: | 548-66-3 | |
|---|---|---|
| Name: | Drofenine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 548-66-3 | |
| InChi Code: | InChI=1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.034089228 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |