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:4261-68-1
Name:N-(2-chloroethyl)-N-(propan-2-yl)propan-2-amine hydrochloride
Description:
Labels:eval
CAS:4261-68-1
InChi Code:InChI=1S/C8H18ClN/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.013756387

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