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:70321-85-6
Name:Potassium 4-[(3-oxobutanoyl)amino]benzenesulfonate
Description:
Labels:eval
CAS:70321-85-6
InChi Code:InChI=1S/C10H11NO5S/c1-7(12)6-10(13)11-8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,11,13)(H,14,15,16)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.028857677

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