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:40180-04-9
Name:Ticrynafen
Description:
Labels:eval
CAS:40180-04-9
InChi Code:InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.094676106

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