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:37132-72-2
Name:Fotretamine
Description:
Labels:eval
CAS:37132-72-2
InChi Code:InChI=1S/C14H28N9OP3/c1-2-18(1)25(19-3-4-19)15-26(20-5-6-20,21-7-8-21)17-27(16-25,22-9-10-22)23-11-13-24-14-12-23/h1-14H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.022357421

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