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:102-60-3
Name:N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine
Description:
Labels:training
CAS:102-60-3
InChi Code:InChI=1S/C14H32N2O4/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20/h11-14,17-20H,5-10H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.001773837

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