reactive blue-2

Ligand id: 1739

Name: reactive blue-2

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 9
Topological polar surface area 323.17
Molecular weight 773.01
XLogP 3.33
No. Lipinski's rules broken 2

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
P2Y6 receptor Hs Antagonist Antagonist 6.0 pKB - 6
pKB 6.0 (KB 1x10-6 M) [6]
P2Y2 receptor Hs Antagonist Antagonist 6.0 pIC50 - 4
pIC50 6.0 [4]
P2Y13 receptor Hs Antagonist Antagonist 5.7 pIC50 - 5
pIC50 5.7 [5]
P2Y11 receptor Hs Antagonist Antagonist 5.0 pIC50 - 3
pIC50 5.0 [3]
P2Y4 receptor Rn Antagonist Antagonist 4.7 pIC50 - 1
pIC50 4.7 [1]
P2Y6 receptor Hs Antagonist Antagonist 4.5 pIC50 - 2
pIC50 4.5 (IC50 3.1x10-5 M) [2]