compound 9n [PMID: 18752940]

Ligand id: 5795

Name: compound 9n [PMID: 18752940]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 68.52
Molecular weight 428.22
XLogP 7.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
HCA2 receptor Allosteric modulator Positive 6.8 pEC50 - 1
pEC50 6.8 (EC50 1.7x10-7 M) [1]