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: | 139264-17-8 | |
|---|---|---|
| Name: | Zolmitriptan | |
| Description: | ||
| Labels: | eval | |
| CAS: | 139264-17-8 | |
| InChi Code: | InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.074041975 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |