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:e2097
Name:Mebanazine
Description:
Labels:
CAS:3979-76-8
InChi Code:InChI=1S/C8H12N2.H2O4S/c1-7(10-9)8-5-3-2-4-6-8;1-5(2,3)4/h2-7,10H,9H2,1H3;(H2,1,2,3,4)

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

inactive

Antagonists_model: Antagonist model (Evaluation set)

Binders: Activity in androgen receptor

ValueSource or prediction
inactive

experimental value

inactive

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)