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: | 16662-46-7 | |
|---|---|---|
| Name: | Gallopamil hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 16662-46-7 | |
| InChi Code: | InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.151945402 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |