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:e3828
Name:1,3,5-Tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione
Description:
Labels:
CAS:26115-70-8
InChi Code:InChI=1S/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3

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

inactive

Binders_model: Binding model (Evaluation set)

MultiClass: Activity in AR agonist and antagonist pathway

ValueSource or prediction
inactive

experimental value

antagonist

MultiClass_model: Multi-Class model (Evaluation set)