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:2392-39-4
Name:Dexamethasone sodium phosphate
Description:
Labels:training
CAS:2392-39-4
InChi Code:InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.705702014

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