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:144034-80-0
Name:Rizatriptan
Description:
Labels:eval
CAS:144034-80-0
InChi Code:InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.141046315

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