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: | 112885-42-4 | |
|---|---|---|
| Name: | Mosapride citrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 112885-42-4 | |
| InChi Code: | InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.112495979 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |