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: | 2753-45-9 | |
|---|---|---|
| Name: | Mebeverine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 2753-45-9 | |
| InChi Code: | InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.150809321 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |