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:68786-66-3
Name:Triclabendazole
Description:
Labels:eval
CAS:68786-66-3
InChi Code:InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.391734715

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