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:154229-18-2
Name:Abiraterone acetate
Description:
Labels:eval
CAS:154229-18-2
InChi Code:InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3
Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.185206245

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