adenosine

Ligand id: 2844

Name: adenosine

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Structure and Physico-chemical Properties

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

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

Natural/Endogenous Targets
Target
A1 receptor
A2A receptor
A2B receptor
A3 receptor
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
S-Adenosylhomocysteine hydrolase
Ecto-5'-Nucleotidase
Adenosine deaminase
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Equilibrative nucleoside transporter 3 1
Solute carrier family 28 member 3
Sodium/nucleoside cotransporter 1
Equilibrative nucleoside transporter 1 6
Equilibrative nucleoside transporter 2
Sodium/nucleoside cotransporter 2
Plasma membrane monoamine transporter
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 6.5 pKi - 2-3,5
pKi 6.5 (Ki 2.9x10-7 M) [2-3,5]
A2A receptor Agonist Agonist 6.5 pKi - 2-3,5
pKi 6.5 (Ki 3.1x10-7 M) [2-3,5]
A2B receptor Agonist Agonist 4.8 pKi - 2-3,5
pKi 4.8 (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 alpha Inhibitor Inhibition 4.5 – 5.0 pIC50 - 4
pIC50 4.5 – 5.0 [4]
phosphatidylinositol 4-kinase type 2 beta 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 7.1 pKi - 5
pKi 7.1 (Ki 7.3x10-8 M) [5]
A2A receptor Agonist Agonist 6.8 pKi - 5
pKi 6.8 (Ki 1.5x10-7 M) [5]
A2B receptor Agonist Agonist 5.3 pKi - 5
pKi 5.3 (Ki 5.1x10-6 M) [5]
A3 receptor Agonist Agonist 5.2 pKi - 5
pKi 5.2 (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