compound 11 [PMID: 15261275]

Ligand id: 9415

Name: compound 11 [PMID: 15261275]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 59.59
Molecular weight 438.03
XLogP 5.62
No. Lipinski's rules broken 1

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
OX2 receptor Hs Antagonist Antagonist 8.3 pKi - 1
pKi 8.3 (Ki 5.01x10-9 M) [1]
Description: Radioligand displacement assay using [125I]-orexin A as radio ligand.
OX1 receptor Hs Antagonist Antagonist <5.3 pKi - 1
pKi <5.3 (Ki >5.012x10-6 M) [1]
Description: Radioligand displacement assay using [125I]-orexin A as radio ligand.