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:144060-53-7
Name:Febuxostat
Description:
Labels:eval
CAS:144060-53-7
InChi Code:InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.116113009

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