apomorphine

Ligand id: 33

Name: apomorphine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 43.7
Molecular weight 267.13
XLogP 3.15
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!)

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 Partial agonist 8.4 pKi - 3
pKi 8.4 [3]
α2C-adrenoceptor Antagonist Antagonist 7.4 pKi - 3
pKi 7.4 [3]
α2B-adrenoceptor Antagonist Antagonist 7.2 pKi - 3
pKi 7.2 [3]
D5 receptor Agonist Partial agonist 6.4 – 7.8 pKi - 3,8
pKi 6.4 – 7.8 [3,8]
5-HT2C receptor Antagonist Antagonist 7.0 pKi - 3
pKi 7.0 [3]
5-HT1A receptor Agonist Partial agonist 6.9 pKi - 3
pKi 6.9 [3]
5-HT2A receptor Antagonist Antagonist 6.9 pKi - 3
pKi 6.9 [3]
5-HT2B receptor Antagonist Antagonist 6.9 pKi - 3
pKi 6.9 [3]
α2A-adrenoceptor Agonist Partial agonist 6.9 pKi - 3
pKi 6.9 [3]
D3 receptor Agonist Partial agonist 6.1 – 7.6 pKi - 1-4,6
pKi 6.1 – 7.6 [1-4,6]
D2 receptor Agonist Partial agonist 5.7 – 7.5 pKi - 1-4,6
pKi 5.7 – 7.5 [1-4,6]
D1 receptor Agonist Full agonist 5.3 – 6.2 pKi - 8-9
pKi 5.3 – 6.2 [8-9]
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TRPA1 Activator Activation 5.1 pEC50 - 5
pEC50 5.1 Apomorphine blocks TRPA1 at 100µM [5]
Description: Calcium imaging, patch clamp
Conditions: HEK293 cells transfected with human TRPA1
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
D3 receptor Agonist Partial agonist 7.7 pKi - 7
pKi 7.7 [7]
D2 receptor Agonist Partial agonist 7.6 pKi - 7
pKi 7.6 [7]