2-chloroadenosine

Ligand id: 372

Name: 2-chloroadenosine

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 139.54
Molecular weight 301.06
XLogP -0.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Equilibrative nucleoside transporter 2
Equilibrative nucleoside transporter 1
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
A1 receptor Rn Agonist Agonist 8.2 pKi - 3
pKi 8.2 (Ki 6.7x10-9 M) [3]
A2A receptor Rn Agonist Agonist 7.1 pKi - 3
pKi 7.1 (Ki 7.6x10-8 M) [3]
A2A receptor Hs Agonist Full agonist 6.7 – 6.8 pKi - 5-6
pKi 6.7 – 6.8 [5-6]
A3 receptor Rn Agonist Agonist 5.7 pKi - 9
pKi 5.7 (Ki 1.89x10-6 M) [9]
A1 receptor Hs Agonist Full agonist 5.2 – 5.6 pKi - 4,8
pKi 5.2 – 5.6 [4,8]
A2B receptor Hs Agonist Full agonist 4.6 – 5.0 pKi - 1-2,7
pKi 4.6 – 5.0 [1-2,7]