AT-076

Ligand id: 8870

Name: AT-076

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 84.83
Molecular weight 437.27
XLogP 3.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
κ receptor Hs Antagonist Antagonist 8.9 pKi - 1,3
pKi 8.9 (Ki 1.14x10-9 M) [1,3]
Description: Radioligand binding assay
μ receptor Hs Antagonist Antagonist 8.8 pKi - 1,3
pKi 8.8 (Ki 1.67x10-9 M) [1,3]
Description: Radioligand binding assay
NOP receptor Hs Antagonist Antagonist 8.8 pKi - 3
pKi 8.8 (Ki 1.75x10-9 M) [3]
Description: Radioligand binding assay
δ receptor Hs Antagonist Antagonist 7.7 pKi - 1-2
pKi 7.7 (Ki 1.96x10-8 M) [1-2]
Description: Radioligand binding assay