10967/234 - QDB Compounds

QsarDB Repository

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:85468-01-5
Name:Gusperimus trihydrochloride
Description:
Labels:eval
CAS:85468-01-5
InChi Code:InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.007936098

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)