PIMOZIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N05AG02
UNII 1HIZ4DL86F
EPA CompTox DTXSID8023474

Structure

InChI Key YVUQSNJEYSNKRX-UHFFFAOYSA-N
Smiles O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChI
InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H29F2N3O
Molecular Weight 461.56
AlogP 5.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 41.03
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Dopamine receptor antagonist ANTAGONIST ISBN DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 3.02-54.95 - 42 -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 162-240 40 - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 54-340 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 372-990 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 0.4-0.48 29 0.6-12 94
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 0.5-71 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 121.67-167.9
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 800 - - 37
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacillus subtilis
- - - - 73
Cricetulus griseus
- 240 - - 121.67-167.9
Escherichia coli K-12
- - - - 60
Homo sapiens
- 3.02-372 - 11.7-42 -
Listeria monocytogenes
- - - - 26.3
Listeria monocytogenes 10403S
- - - - 47.1-95
Mus musculus
- - - - 60
Salmonella enterica subsp. enterica serovar Typhimurium
- - - - 64

Target Conservation

Protein: Dopamine receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295
Protein: Dopamine receptor
Description: D(1A) dopamine receptor
Organism : Homo sapiens
P21728 ENSG00000184845
Protein: Dopamine receptor
Description: D(4) dopamine receptor
Organism : Homo sapiens
P21917 ENSG00000069696
Protein: Dopamine receptor
Description: D(1B) dopamine receptor
Organism : Homo sapiens
P21918 ENSG00000169676
Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Dopamine receptor
Description: D(3) dopamine receptor
Organism : Homo sapiens
P35462 ENSG00000151577

Related Entries

Cross References

Resources Reference
ChEBI 8212
ChEMBL CHEMBL1423
DrugBank DB01100
DrugCentral 2172
FDA SRS 1HIZ4DL86F
Human Metabolome Database HMDB0015232
Guide to Pharmacology 90
KEGG C07566
PharmGKB PA450965
PubChem 16362
SureChEMBL SCHEMBL41584
ZINC ZINC000004175630
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