DPCPX

Ligand id: 386

Name: DPCPX

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 72.68
Molecular weight 304.19
XLogP 4.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
A1 receptor Rn Antagonist Antagonist 9.0 – 9.7 pKi - 8,10,20
pKi 9.0 – 9.7 (Ki 1x10-9 – 1.8x10-10 M) [8,10,20]
A1 receptor Hs Antagonist Antagonist 7.4 – 9.2 pKi - 3,7,13,16,20
pKi 7.4 – 9.2 (Ki 3.98x10-8 – 6.3x10-10 M) [3,7,13,16,20]
A2B receptor Hs Antagonist Antagonist 6.9 – 7.3 pKi - 8,13,18,20
pKi 6.9 – 7.3 [8,13,18,20]
A2B receptor Mm Antagonist Antagonist 7.1 pKi - 2
pKi 7.1 (Ki 8.62x10-8 M) [2]
A2A receptor Hs Antagonist Antagonist 6.6 – 7.2 pKi - 4,9,11,15,20
pKi 6.6 – 7.2 [4,9,11,15,20]
A2B receptor Rn Antagonist Antagonist 6.7 – 6.7 pKi - 5,8
pKi 6.7 – 6.7 (Ki 2x10-7 – 1.86x10-7 M) [5,8]
A2A receptor Rn Antagonist Antagonist 6.3 – 6.8 pKi - 8,12
pKi 6.3 – 6.8 (Ki 5x10-7 – 1.57x10-7 M) [8,12]
A3 receptor Hs Antagonist Antagonist 5.4 – 6.6 pKi - 1,6,9,17,19-20
pKi 5.4 – 6.6 (Ki 3.96x10-6 – 2.43x10-7 M) [1,6,9,17,19-20]
A3 receptor Rn Antagonist Antagonist 4.4 – 7.6 pKi - 1,14,20
pKi 4.4 – 7.6 [1,14,20]
Ligand mentioned in the following text fields