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:31431-39-7
Name:Mebendazole
Description:
Labels:eval
CAS:31431-39-7
InChi Code:InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.047606834

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