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:67227-56-9
Name:Fenoldopam
Description:
Labels:eval
CAS:67227-56-9
InChi Code:InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.248619818

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