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: | 114856-44-9 | |
|---|---|---|
| Name: | Oberadilol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 114856-44-9 | |
| InChi Code: | InChI=1S/C25H30ClN5O3/c1-16-10-23(33)30-31-24(16)17-5-8-20(9-6-17)28-15-25(2,3)29-13-21(32)14-34-22-11-19(26)7-4-18(22)12-27/h4-9,11,16,21,24,28-29,32H,10,13-15H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.42002384 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |