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:19248-13-6
Name:N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine
Description:
Labels:eval
CAS:19248-13-6
InChi Code:InChI=1S/C11H18N2/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,12H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.045209375

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