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: | 75507-68-5 | |
|---|---|---|
| Name: | Flupirtine maleate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 75507-68-5 | |
| InChi Code: | InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.062459462 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |