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: | 1163-36-6 | |
|---|---|---|
| Name: | Clemizole hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 1163-36-6 | |
| InChi Code: | InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.202373655 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |