DOMPERIDONE

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Synonyms
Status
Molecule Category Free-form
ATC A03FA03
UNII 5587267Z69
EPA CompTox DTXSID1045116

Structure

InChI Key FGXWKSZFVQUSTL-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST Other Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 57.54-162.18 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 2.5-13.6 - 0.52-14.4 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 111.02-838.68
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 66
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 111.02-838.68
Homo sapiens
- 57.54-162.18 - 3.5 66
Rattus norvegicus
- 588.84 - 0.52-998 -

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295

Cross References

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