Ligand Id: 2844
Ligand name adenosine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 139.54
Molecular weight 267.1
XLogP -1.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity Clinical data References Structure Similar ligands Suppliers
Natural/Endogenous Targets
Target DB page
A1 receptor
A2A receptor
A2B receptor
A3 receptor
Enzymes Catalysing Reactions Involving this Compound
Enzyme DB page EC number Reaction Reference
Adenosine kinase
Adenosine deaminase
Transporters Moving this Compound Across a Lipid Membrane
Transporter DB page EC number Reaction Reference
Equilibrative nucleoside transporter 3 1
CNT3
CNT1
Equilibrative nucleoside transporter 1 6
Equilibrative nucleoside transporter 2
CNT2
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
A1 receptor Agonist Agonist ~7.0 pKi - 5
pKi ~7.0 (Ki ~1x10-7 M) [5]
A3 receptor Agonist Agonist 6.54 pKi - 2-3,5
pKi 6.54 (Ki 2.9x10-7 M) [2-3,5]
A2A receptor Agonist Agonist 6.51 pKi - 2-3,5
pKi 6.51 (Ki 3.1x10-7 M) [2-3,5]
A2B receptor Agonist Agonist 4.82 pKi - 2-3,5
pKi 4.82 (Ki 1.5x10-5 M) [2-3,5]
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TRPM4 Channel blocker - 3.2 pIC50 -
pIC50 3.2 (IC50 6.3x10-4 M)
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
phosphatidylinositol 4-kinase type 2 beta Inhibitor Inhibition 4.5 – 5.0 pIC50 - 4
pIC50 4.5 – 5.0 [4]
phosphatidylinositol 4-kinase type 2 alpha Inhibitor Inhibition 4.5 – 5.0 pIC50 - 4
pIC50 4.5 – 5.0 [4]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
A1 receptor Agonist Agonist 7.14 pKi - 5
pKi 7.14 (Ki 7.3x10-8 M) [5]
A2A receptor Agonist Agonist 6.82 pKi - 5
pKi 6.82 (Ki 1.5x10-7 M) [5]
A2B receptor Agonist Agonist 5.29 pKi - 5
pKi 5.29 (Ki 5.1x10-6 M) [5]
A3 receptor Agonist Agonist 5.19 pKi - 5
pKi 5.19 (Ki 6.5x10-6 M) [5]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields in the Guide to PHARMACOLOGY

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