(-)-adrenaline

Ligand id: 479

Name: (-)-adrenaline

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: adrenaline

Structure and Physico-chemical Properties

2D Structure
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 -0.07
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
α1A-adrenoceptor
α1B-adrenoceptor
α1D-adrenoceptor
α2A-adrenoceptor
α2B-adrenoceptor
α2C-adrenoceptor
β1-adrenoceptor
β2-adrenoceptor
β3-adrenoceptor
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
Monoamine oxidase A
Phenylethanolamine N-methyltransferase
Monoamine oxidase B
Catechol-O-methyltransferase
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Vesicular monoamine transporter 1 1
Vesicular monoamine transporter 2 1
DAT
NET
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α1D-adrenoceptor Agonist Full agonist 7.2 pKi - 4,9
pKi 7.2 [4,9]
α2A-adrenoceptor Agonist Full agonist 5.8 – 7.4 pKi - 6,8
pKi 5.8 – 7.4 [6,8]
α1B-adrenoceptor Agonist Full agonist 6.5 pKi - 9
pKi 6.5 [9]
α1A-adrenoceptor Agonist Full agonist 6.3 – 6.5 pKi - 4,9
pKi 6.3 – 6.5 [4,9]
β2-adrenoceptor Agonist Full agonist 6.0 – 6.2 pKi - 2-3,5
pKi 6.0 – 6.2 [2-3,5]
α2C-adrenoceptor Agonist Agonist 5.8 pKi - 6
pKi 5.8 [6]
β1-adrenoceptor Agonist Agonist 5.4 – 6.0 pKi - 2-3
pKi 5.4 – 6.0 [2-3]
α2B-adrenoceptor Agonist Agonist 5.2 pKi - 6
pKi 5.2 [6]
β3-adrenoceptor Agonist Agonist 3.9 pKi - 3
pKi 3.9 [3]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α1D-adrenoceptor Agonist Full agonist 6.3 pKi - 7
pKi 6.3 [7]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields