domperidone   Click here for help

GtoPdb Ligand ID: 965

Synonyms: Motilium® | Nauzelin® | R-33812
Approved drug
domperidone is an approved drug
Compound class: Synthetic organic
Comment: Domperidone is an orally active, peripherally acting and selective antagonist of dopamine D2 and D3 receptors.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 78.82
Molecular weight 425.16
XLogP 2.37
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2
Isomeric SMILES Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2
InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
D2 receptor Rn Antagonist Antagonist 8.5 pKi - 3
pKi 8.5 [3]
D2 receptor Primary target of this compound Hs Antagonist Antagonist 7.9 – 8.4 pKi - 1-2
pKi 7.9 – 8.4 (Ki 1.26x10-8 – 3.98x10-9 M) [1-2]
D3 receptor Primary target of this compound Hs Antagonist Antagonist 7.1 – 7.6 pKi - 1-2
pKi 7.1 – 7.6 [1-2]
D3 receptor Rn Antagonist Antagonist 7.0 pKi - 3
pKi 7.0 [3]