10967/236 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.

Compound

ID:e146
Name:1-Amino-2-methylanthraquinone
Description:
Labels:
CAS:82-28-0
InChi Code:InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3

Properties

Agonists: Activity in AR agonist pathway

ValueSource or prediction
agonist

experimental value

inactive

Agonists_model: Agonist model (Evaluation set)

Binders: Activity in androgen receptor

ValueSource or prediction
binder

experimental value

binder

Binders_model: Binding model (Evaluation set)

MultiClass: Activity in AR agonist and antagonist pathway

ValueSource or prediction
agonist

experimental value

antagonist

MultiClass_model: Multi-Class model (Evaluation set)