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:69852-45-5
Name:3-{[3-(Dimethylamino)propyl]amino}propanenitrile
Description:
Labels:eval
CAS:69852-45-5
InChi Code:InChI=1S/C8H17N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-4,6-8H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.024399004

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