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: | 2181-04-6 | |
|---|---|---|
| Name: | Canrenoate potassium | |
| Description: | ||
| Labels: | eval | |
| CAS: | 2181-04-6 | |
| InChi Code: | InChI=1S/C22H30O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.213712566 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |