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: | 3039-71-2 | |
|---|---|---|
| Name: | 3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 3039-71-2 | |
| InChi Code: | InChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.047135995 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |