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: | 75847-73-3 | |
|---|---|---|
| Name: | Enalapril | |
| Description: | ||
| Labels: | eval | |
| CAS: | 75847-73-3 | |
| InChi Code: | InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.057617442 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |