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:119431-25-3
Name:Eliprodil
Description:
Labels:eval
CAS:119431-25-3
InChi Code:InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.533615007

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