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:1155-74-4
Name:Tetradecylpyridinium bromide
Description:
Labels:eval
CAS:1155-74-4
InChi Code:InChI=1S/C19H34N/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.023492783

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