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:10381-75-6
Name:8-Bromotheophylline
Description:
Labels:eval
CAS:10381-75-6
InChi Code:InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.012752876

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