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:60-79-7
Name:Ergonovine
Description:
Labels:eval
CAS:60-79-7
InChi Code:InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.033101279

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