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: | 1508-65-2 | |
|---|---|---|
| Name: | Oxybutynin chloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 1508-65-2 | |
| InChi Code: | InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.167090316 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |