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:212141-51-0
Name:Vatalanib dihydrochloride
Description:
Labels:eval
CAS:212141-51-0
InChi Code:InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.150148095

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