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: | 58045-23-1 | |
|---|---|---|
| Name: | Zuclopenthixol dihydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 58045-23-1 | |
| InChi Code: | InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.660575772 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |