suramin

Ligand id: 1728

Name: suramin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 29
Hydrogen bond donors 12
Rotatable bonds 22
Topological polar surface area 534.03
Molecular weight 1296.05
XLogP 1.05
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
P2Y6 receptor Antagonist Antagonist 4.0 pKB - 11
pKB 4.0 (KB 1x10-4 M) [11]
P2Y1 receptor Antagonist Antagonist 5.3 pKi - 12
pKi 5.3 [12]
P2Y13 receptor Antagonist Antagonist 5.6 pIC50 - 6
pIC50 5.6 [6]
P2Y11 receptor Antagonist Antagonist 4.8 – 6.0 pIC50 - 2
pIC50 4.8 – 6.0 [2]
P2Y2 receptor Antagonist Antagonist 4.3 pIC50 - 4,10
pIC50 4.3 [4,10]
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
P2X3 Antagonist Antagonist 4.8 pIC50 - 3
pIC50 4.8 (IC50 1.49x10-5 M) [3]
RyR1 Activator - - - -
pharmacological; μM range
RyR2 Activator - - - -
pharmacological; μM range
Selectivity at rat ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
P2X1 Antagonist Antagonist 6.0 pIC50 - 3
pIC50 6.0 (IC50 1x10-6 M) [3]
P2X3 Antagonist Antagonist 5.5 pIC50 - 3
pIC50 5.5 (IC50 3x10-6 M) [3]
P2X5 Antagonist Antagonist 5.4 pIC50 - 3
pIC50 5.4 (IC50 4x10-6 M) [3]
P2X2 Antagonist Antagonist 5.0 pIC50 - 3
pIC50 5.0 (IC50 1.04x10-5 M) [3]
Ligand mentioned in the following text fields