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:2098-66-0
Name:Cyproterone
Description:
Labels:eval
CAS:2098-66-0
InChi Code:InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.222517082

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