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: | 5508-58-7 | |
|---|---|---|
| Name: | Andrographolide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 5508-58-7 | |
| InChi Code: | InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.085419063 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |