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:25316-40-9
Name:Adriamycin hydrochloride
Description:
Labels:eval
CAS:25316-40-9
InChi Code:InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3
Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.055364639

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