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 GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
D4 receptor Hs Agonist Partial agonist 8.4 pKi - 3
pKi 8.4 [3]
D3 receptor Rn Agonist Partial agonist 7.7 pKi - 7
pKi 7.7 [7]
D2 receptor Rn Agonist Partial agonist 7.6 pKi - 7
pKi 7.6 [7]
α2C-adrenoceptor Hs Antagonist Antagonist 7.4 pKi - 3
pKi 7.4 [3]
α2B-adrenoceptor Hs Antagonist Antagonist 7.2 pKi - 3
pKi 7.2 [3]
D5 receptor Hs Agonist Partial agonist 6.4 – 7.8 pKi - 3,8
pKi 6.4 – 7.8 [3,8]
5-HT2C receptor Hs Antagonist Antagonist 7.0 pKi - 3
pKi 7.0 [3]
5-HT1A receptor Hs Agonist Partial agonist 6.9 pKi - 3
pKi 6.9 [3]
5-HT2A receptor Hs Antagonist Antagonist 6.9 pKi - 3
pKi 6.9 [3]
5-HT2B receptor Hs Antagonist Antagonist 6.9 pKi - 3
pKi 6.9 [3]
α2A-adrenoceptor Hs Agonist Partial agonist 6.9 pKi - 3
pKi 6.9 [3]
D3 receptor Hs Agonist Partial agonist 6.1 – 7.6 pKi - 1-4,6
pKi 6.1 – 7.6 [1-4,6]
D2 receptor Hs Agonist Partial agonist 5.7 – 7.5 pKi - 1-4,6
pKi 5.7 – 7.5 [1-4,6]
D1 receptor Hs Agonist Full agonist 5.3 – 6.2 pKi - 8-9
pKi 5.3 – 6.2 [8-9]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
TRPA1 Hs 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