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:115-33-3
Name:Oxyphenisatin acetate
Description:
Labels:eval
CAS:115-33-3
InChi Code:InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.147809521

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