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 GtoPdb and ChEMBL (where available) across species

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