RISPERIDONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N05AX08
UNII L6UH7ZF8HC
EPA CompTox DTXSID8045193

Structure

InChI Key RAPZEAPATHNIPO-UHFFFAOYSA-N
Smiles Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2
InChI
InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27FN4O2
Molecular Weight 410.49
AlogP 3.59
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 64.16
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Glycine receptor
320 - - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 147.91-778 - 920 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 2.9-10.9 - 0.69-57.8 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 4-37.5 - 0.44-620 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 80-868 - 2.6-100 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 0.7079-950 398.11 0.14-720 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 39.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 41.69-91.2 -
Cavia porcellus
- - - 7.943-46.2 -
Homo sapiens
320 0.7079-868 - 0.15-920 39.3
Mus musculus
- 23 - - 90-100
Rattus norvegicus
- 0.76-80 - 0.15-211 27-83

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
Protein: Serotonin 2c (5-HT2c) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Slovenia

Cross References

Resources Reference
ChEBI 8871
ChEMBL CHEMBL85
DrugBank DB00734
DrugCentral 2389
FDA SRS L6UH7ZF8HC
Human Metabolome Database HMDB0005020
Guide to Pharmacology 96
KEGG D00426
PDB 8NU
PharmGKB PA451257
PubChem 5073
SureChEMBL SCHEMBL27911
ZINC ZINC000000538312
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