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:e193
Name:Tramazoline tosylate
Description:
Labels:
CAS:102280-49-9
InChi Code:InChI=1S/C13H17N3.C7H8O3S/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16);2-5H,1H3,(H,8,9,10)

Properties

Agonists: Activity in AR agonist pathway

ValueSource or prediction
inactive

experimental value

inactive

Agonists_model: Agonist model (Evaluation set)

Antagonists: Activity in AR antagonist pathway

ValueSource or prediction
inactive

experimental value

antagonist

Antagonists_model: Antagonist model (Evaluation set)

Binders: Activity in androgen receptor

ValueSource or prediction
inactive

experimental value

binder

Binders_model: Binding model (Evaluation set)

MultiClass: Activity in AR agonist and antagonist pathway

ValueSource or prediction
inactive

experimental value

inactive

MultiClass_model: Multi-Class model (Evaluation set)