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: | 1054-88-2 | |
|---|---|---|
| Name: | Spiroxatrine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 1054-88-2 | |
| InChi Code: | InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.166921144 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |