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:50505-93-6
Name:S-(+)-2,5-Dimethoxy-4-bromoamphetamine hydrochloride
Description:
Labels:eval
CAS:50505-93-6
InChi Code:InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.032789222

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