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:1093-58-9
Name:Clostebol
Description:
Labels:eval
CAS:1093-58-9
InChi Code:InChI=1S/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.247601086

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