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:898128-45-5
Name:2-[(4-Chloro-3-methylphenyl)amino]benzoic acid
Description:
Labels:eval
CAS:898128-45-5
InChi Code:InChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.162407421

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