DROPERIDOL

Search structure
Synonyms:
Status: Approved (1970)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05AD08
UNII: O9U0F09D5X

Structure
InChI Key RMEDXOLNCUSCGS-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST D2-like dopamine receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 14.29
Enzyme Transferase
- 12200 - - 17.82
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 1.28-10.39
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 32.2-927.2 - 759.6 -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 7600 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 740 - - 91
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 2298 - 1651 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 1.653 - 0.669 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 1092 - 0.802 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 4519 - 525 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 1342 - 0.738 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 147.61

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Postoperative Nausea and Vomiting 4 D020250 ClinicalTrials
Pain 3 D010146 ClinicalTrials

Cross References

Resources Reference
ChEBI 4717
ChEMBL CHEMBL1108
DrugBank DB00450
DrugCentral 966
EPA CompTox DTXSID6022973
FDA SRS O9U0F09D5X
Human Metabolome Database HMDB14593
Guide to Pharmacology 7172
PDB USS
PharmGKB PA449422
PubChem 3168
SureChEMBL SCHEMBL41426
ZINC ZINC000019796080
CONTENTS