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: | 122892-31-3 | |
|---|---|---|
| Name: | Itopride hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 122892-31-3 | |
| InChi Code: | InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.074564433 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |