(±)-adrenaline

Ligand id: 509

Name: (±)-adrenaline

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 72.72
Molecular weight 183.09
XLogP 0.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Natural/Endogenous Targets
Target
β3-adrenoceptor
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
α2C-adrenoceptor Hs Agonist Full agonist 5.8 – 6.2 pKi - 4
pKi 5.8 – 6.2 [4]
β1-adrenoceptor Hs Agonist Full agonist 6.0 pKi - 2
pKi 6.0 [2]
α2B-adrenoceptor Hs Agonist Partial agonist 5.2 – 6.2 pKi - 4
pKi 5.2 – 6.2 [4]
β3-adrenoceptor Mm Agonist Full agonist 5.3 pKi - 5
pKi 5.3 [5]
β3-adrenoceptor Rn Agonist Full agonist 5.3 pKi - 5
pKi 5.3 [5]
β3-adrenoceptor Hs Agonist Full agonist 3.9 – 4.7 pKi - 1,3,5
pKi 3.9 – 4.7 [1,3,5]