DROPERIDOL

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Synonyms
Status
Molecule Category Free-form
ATC N05AD08
UNII O9U0F09D5X
EPA CompTox DTXSID6022973

Structure

InChI Key RMEDXOLNCUSCGS-UHFFFAOYSA-N
Smiles O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
InChI
InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22FN3O2
Molecular Weight 379.44
AlogP 3.68
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 58.1
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
D2-like dopamine receptor antagonist ANTAGONIST PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 14.29
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 32.2-32.36 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 740 - - 91
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 147.61-472.45
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 740 - - 91
Cricetulus griseus
- - - - 147.61-472.45
Homo sapiens
- 32.2-32.36 - - 14.29

Target Conservation

Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468

Cross References

Resources Reference
ChEBI 4717
ChEMBL CHEMBL1108
DrugBank DB00450
DrugCentral 966
FDA SRS O9U0F09D5X
Human Metabolome Database HMDB0014593
Guide to Pharmacology 7172
PDB USS
PharmGKB PA449422
SureChEMBL SCHEMBL41426
ZINC ZINC000019796080
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