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: | 54301-15-4 | |
|---|---|---|
| Name: | Amsacrine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 54301-15-4 | |
| InChi Code: | InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.200553755 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |