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: | 145821-59-6 | |
|---|---|---|
| Name: | Tiagabine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 145821-59-6 | |
| InChi Code: | InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.022836747 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |