DOMPERIDONE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: A03FA03
UNII: 5587267Z69

Structure
InChI Key FGXWKSZFVQUSTL-UHFFFAOYSA-N
Smile O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24ClN5O2
Molecular Weight 425.92
AlogP 3.35
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 78.82
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D2 receptor antagonist Other Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Oxidoreductase
- - - 1200 -
Enzyme Transferase
- - - - 7.05
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -6.63--3.46
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 57.54-162.18 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 4218 - 1712 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 1011 - 1027 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 1-13.6 - 3.5-7.5 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1344 - 156 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 1332 - 11 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group B Nuclear hormone receptor subfamily 2 group B member 1
- - 8800 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 2614 - 1623 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 111.02
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 7900 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 14800 - - 66

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroenteritis 3 D005759 ClinicalTrials
Gastroesophageal Reflux 3 D005764 ClinicalTrials
Dyspepsia 3 D004415 ClinicalTrials
Gastroparesis 3 D018589 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 2 D020528 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 2 D020529 ClinicalTrials
Premature Birth 2 D047928 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31515
ChEMBL CHEMBL219916
DrugBank DB01184
DrugCentral 945
EPA CompTox DTXSID1045116
FDA SRS 5587267Z69
Human Metabolome Database HMDB0015315
Guide to Pharmacology 965
PharmGKB PA134711056
SureChEMBL SCHEMBL43729
ZINC ZINC000004175569
CONTENTS