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:2152-44-5
Name:Betamethasone valerate
Description:
Labels:eval
CAS:2152-44-5
InChi Code:InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.077200962

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