Ligand id: 1764

Name: 2MeSAMP

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 221.18
Molecular weight 393.05
XLogP -2.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
P2Y13 receptor Hs Antagonist Antagonist 5.6 pIC50 - 1
pIC50 5.6 [1]
P2Y12 receptor Hs Antagonist Antagonist 5.4 pIC50 - 2
pIC50 5.4 [2]