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:1454
Name:Pentane-1,5-diyl dibenzoate
Description:
Labels:
CAS:6624-73-3
InChi Code:InChI=1S/C19H20O4/c20-18(16-10-4-1-5-11-16)22-14-8-3-9-15-23-19(21)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2

Properties

Agonists: Activity in AR agonist pathway

ValueSource or prediction
inactive

experimental value

inactive

Agonists_model: Agonist model (Test set)

Antagonists: Activity in AR antagonist pathway

ValueSource or prediction
inactive

experimental value

inactive

Antagonists_model: Antagonist model (Test set)

Binders: Activity in androgen receptor

ValueSource or prediction
inactive

experimental value

inactive

Binders_model: Binding model (Test set)

MultiClass: Activity in AR agonist and antagonist pathway

ValueSource or prediction
inactive

experimental value

antagonist

MultiClass_model: Multi-Class model (Test set)