dopamine

Ligand id: 940

Name: dopamine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 66.48
Molecular weight 153.08
XLogP 0.57
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
D1 receptor
D2 receptor
D3 receptor
D4 receptor
D5 receptor
TA1 receptor
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
L-Aromatic amino-acid decarboxylase
Monoamine oxidase A
Dopamine beta-hydroxylase (dopamine beta-monooxygenase)
Monoamine oxidase B
Catechol-O-methyltransferase
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Organic cation transporter 2 6
DAT
NET
Vesicular monoamine transporter 1 4
Vesicular monoamine transporter 2 4
Organic cation transporter 3 17
Plasma membrane monoamine transporter 3,14
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
D4 receptor Agonist Full agonist 7.6 pKi - 13
pKi 7.6 [13]
D3 receptor Agonist Full agonist 6.4 – 7.3 pKi - 2,5,7,10
pKi 6.4 – 7.3 [2,5,7,10]
D5 receptor Agonist Full agonist 6.6 pKi - 11
pKi 6.6 [11]
D2 receptor Agonist Full agonist 4.7 – 7.2 pKi - 2,5,7
pKi 4.7 – 7.2 [2,5,7]
D1 receptor Agonist Full agonist 4.3 – 5.6 pKi - 11-12
pKi 4.3 – 5.6 [11-12]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
D4 receptor Agonist Full agonist 7.4 pKi - 8
pKi 7.4 [8]
D2 receptor Agonist Full agonist 5.3 – 6.4 pKi - 8,10
pKi 5.3 – 6.4 [8,10]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
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