Ligand id: 1727

Name: [3H]MRS2279    

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 208.77
Molecular weight 471.05
XLogP -1.73
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
P2Y1 receptor Hs Antagonist Antagonist 8.1 pKd - 1
pKd 8.1 (Kd 8x10-9 M) [1]