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: | 599179-03-0 | |
|---|---|---|
| Name: | Vicriviroc maleate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 599179-03-0 | |
| InChi Code: | InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.268237231 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |