Ligand id: 9048

Name: MK-0812

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 63.69
Molecular weight 469.26
XLogP 2.5
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

Bioactivity Comments
MK-0812 blocks all MCP-1-driven CCR2 activation in vitro and inhibits migration of rhesus monkey monocytes to the skin in an experimental hypersensitivity reaction in vivo [1].
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
CCR2 Monkey Antagonist Antagonist 8.4 pIC50 - 1
pIC50 8.4 (IC50 4.5x10-9 M) [1]
Description: Measuring inhibition of [125]I-MCP-1 binding by MK-0812 on isolated monocytes.