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:67953-08-6
Name:N2-(4-Nitrophenyl)-L-glutamine hydrochloride
Description:
Labels:eval
CAS:67953-08-6
InChi Code:InChI=1S/C11H13N3O5/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(4-2-7)14(18)19/h1-4,9,13H,5-6H2,(H2,12,15)(H,16,17)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.018764695

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