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:115344-47-3
Name:Siguazodan
Description:
Labels:eval
CAS:115344-47-3
InChi Code:InChI=1S/C14H16N6O/c1-9-7-12(21)19-20-13(9)10-3-5-11(6-4-10)18-14(16-2)17-8-15/h3-6,9,13H,7H2,1-2H3,(H2,16,17,18)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.099798406

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