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:17526-94-2
Name:3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
Description:
Labels:eval
CAS:17526-94-2
InChi Code:InChI=1S/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.03769396

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