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:24169-02-6
Name:Econazole nitrate
Description:
Labels:training
CAS:24169-02-6
InChi Code:InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.340029209

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