ILOPERIDONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N05AX14
UNII VPO7KJ050N
EPA CompTox DTXSID6049060

Structure

InChI Key XMXHEBAFVSFQEX-UHFFFAOYSA-N
Smiles COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChI
InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27FN2O4
Molecular Weight 426.49
AlogP 4.83
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 64.8
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 0.4 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 110-750 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 9-210 - - -
Membrane receptor
- 110-750 - - -

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295
Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468

Cross References

Resources Reference
ChEBI 65173
ChEMBL CHEMBL14376
DrugBank DB04946
DrugCentral 3294
FDA SRS VPO7KJ050N
Guide to Pharmacology 87
KEGG D02666
PubChem 71360
SureChEMBL SCHEMBL115755
ZINC ZINC000001548097
CONTENTS