MRS1093

Ligand id: 399

Name: MRS1093

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 68.9
Molecular weight 326.12
XLogP 4.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
A2A receptor Hs Antagonist Antagonist 9.2 pKi - 1
pKi 9.2 [1]
A3 receptor Hs Antagonist Antagonist 6.1 pKi - 1
pKi 6.1 [1]
A1 receptor Rn Antagonist Antagonist 5.7 pKi - 1
pKi 5.7 [1]