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: | 3735-85-1 | |
|---|---|---|
| Name: | Mefeserpine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 3735-85-1 | |
| InChi Code: | InChI=1S/C32H38N2O8/c1-37-19-5-7-20(8-6-19)41-17-28(35)42-27-13-18-16-34-12-11-23-22-10-9-21(38-2)14-25(22)33-30(23)26(34)15-24(18)29(31(27)39-3)32(36)40-4/h5-10,14,18,24,26-27,29,31,33H,11-13,15-17H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.098258367 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |