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:41483-43-6
Name:Bupirimate
Description:
Labels:eval
CAS:41483-43-6
InChi Code:InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.01283435

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