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: | 116649-85-5 | |
|---|---|---|
| Name: | Ramatroban | |
| Description: | ||
| Labels: | eval | |
| CAS: | 116649-85-5 | |
| InChi Code: | InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.140243724 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |