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: | 110221-44-8 | |
|---|---|---|
| Name: | Temocapril hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 110221-44-8 | |
| InChi Code: | InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.131034879 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |