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: | 60-79-7 | |
|---|---|---|
| Name: | Ergonovine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 60-79-7 | |
| InChi Code: | InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.033101279 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |