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:87463-91-0
Name:Furegrelate sodium
Description:
Labels:eval
CAS:87463-91-0
InChi Code:InChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.055690208

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