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: | 34140-59-5 | |
|---|---|---|
| Name: | Trimebutine maleate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 34140-59-5 | |
| InChi Code: | InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.070875733 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |