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 GtoPdb and ChEMBL (where available) across species

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 GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
A1 receptor Rn Agonist Agonist 7.1 pKi - 5
pKi 7.1 (Ki 7.3x10-8 M) [5]
A1 receptor Hs Agonist Agonist ~7.0 pKi - 5
pKi ~7.0 (Ki ~1x10-7 M) [5]
A2A receptor Rn Agonist Agonist 6.8 pKi - 5
pKi 6.8 (Ki 1.5x10-7 M) [5]
A3 receptor Hs Agonist Agonist 6.5 pKi - 2-3,5
pKi 6.5 (Ki 2.9x10-7 M) [2-3,5]
A2A receptor Hs Agonist Agonist 6.5 pKi - 2-3,5
pKi 6.5 (Ki 3.1x10-7 M) [2-3,5]
A2B receptor Rn Agonist Agonist 5.3 pKi - 5
pKi 5.3 (Ki 5.1x10-6 M) [5]
A3 receptor Rn Agonist Agonist 5.2 pKi - 5
pKi 5.2 (Ki 6.5x10-6 M) [5]
A2B receptor Hs Agonist Agonist 4.8 pKi - 2-3,5
pKi 4.8 (Ki 1.5x10-5 M) [2-3,5]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
TRPM4 Hs Channel blocker - 3.2 pIC50 -
pIC50 3.2 (IC50 6.3x10-4 M)
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
phosphatidylinositol 4-kinase type 2 alpha Hs Inhibitor Inhibition 4.5 – 5.0 pIC50 - 4
pIC50 4.5 – 5.0 [4]
phosphatidylinositol 4-kinase type 2 beta Hs Inhibitor Inhibition 4.5 – 5.0 pIC50 - 4
pIC50 4.5 – 5.0 [4]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields