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:546-71-4
Name:Ethyl 4-nitrophenyl ethylphosphonate
Description:
Labels:eval
CAS:546-71-4
InChi Code:InChI=1S/C10H14NO5P/c1-3-15-17(14,4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.057754346

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