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: | 95635-55-5 | |
|---|---|---|
| Name: | Ranolazine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 95635-55-5 | |
| InChi Code: | InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.067895651 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |