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: | 64795-35-3 | |
|---|---|---|
| Name: | Mesulergine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 64795-35-3 | |
| InChi Code: | InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.117568353 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |