Pardoprunox

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Pardoprunox
Accession Number
DB12061  (DB05280)
Type
Small Molecule
Groups
Investigational
Description

Pardoprunox has been used in trials studying the treatment of Early Stage Parkinson's Disease and Advanced Stage Parkinson's Disease. Pardoprunox is a partial dopamine D2 agonist and noradrenergic agonist with serotonin 5-HT1A agonist properties.

Structure
Thumb
Synonyms
Not Available
External IDs
DU 126891 / DU-126891 / SLV 308 / SLV-308 / SLV308
Product Ingredients
IngredientUNIICASInChI Key
Pardoprunox HydrochlorideU40903X6V8269718-83-4NQRIKTDKFHAOKC-UHFFFAOYSA-N
Categories
Not Available
UNII
5R72CHP32S
CAS number
269718-84-5
Weight
Average: 233.271
Monoisotopic: 233.116426735
Chemical Formula
C12H15N3O2
InChI Key
YVPUUUDAZYFFQT-UHFFFAOYSA-N
InChI
InChI=1S/C12H15N3O2/c1-14-5-7-15(8-6-14)10-4-2-3-9-11(10)17-12(16)13-9/h2-4H,5-8H2,1H3,(H,13,16)
IUPAC Name
7-(4-methylpiperazin-1-yl)-2,3-dihydro-1,3-benzoxazol-2-one
SMILES
CN1CCN(CC1)C1=C2OC(=O)NC2=CC=C1

Pharmacology

Indication
Not Available
Structured Indications
Not Available
Pharmacodynamics
Not Available
Mechanism of action

Pardoprunox binds to dopamine D(2), D(3), and D(4) receptors and 5-HT(1) (A) receptors and is a partial agonist at dopamine D(2) and D(3) receptors and a full agonist at serotonin 5-HT(1) (A) receptors. Pardoprunox combines high potency partial agonism at dopamine D(2) and D(3) receptors with full efficacy low potency serotonin 5-HT(1) (A) receptor agonism and is worthy of profiling in in vivo models of Parkinson's disease.

TargetActionsOrganism
UD(2) dopamine receptorNot AvailableHuman
UD(3) dopamine receptorNot AvailableHuman
UD(4) dopamine receptorNot AvailableHuman
U5-hydroxytryptamine receptor 1ANot AvailableHuman
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
  1. Glennon JC, Van Scharrenburg G, Ronken E, Hesselink MB, Reinders JH, Van Der Neut M, Long SK, Feenstra RW, McCreary AC: In vitro characterization of SLV308 (7-[4-methyl-1-piperazinyl]-2(3H)-benzoxazolone, monohydrochloride): a novel partial dopamine D2 and D3 receptor agonist and serotonin 5-HT1A receptor agonist. Synapse. 2006 Dec 15;60(8):599-608. [PubMed:17001660]
  2. Wolf WA: SLV-308. Solvay. Curr Opin Investig Drugs. 2003 Jul;4(7):878-82. [PubMed:14619412]
External Links
PubChem Compound
6918525
PubChem Substance
347828370
ChemSpider
5293722
ChEMBL
CHEMBL2103832

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentAdvanced Stage Parkinson's Disease1
3CompletedTreatmentAdvanced Stage Parkinson's Disease2
3CompletedTreatmentEarly Stage Parkinson's Disease3
3CompletedTreatmentParkinson's Disease (PD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility7.88 mg/mLALOGPS
logP1.25ALOGPS
logP1.29ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)9.46ChemAxon
pKa (Strongest Basic)7.37ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area44.81 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity66.74 m3·mol-1ChemAxon
Polarizability24.93 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
N-arylpiperazines
Alternative Parents
Benzoxazolones / Dialkylarylamines / N-methylpiperazines / Benzenoids / Oxazoles / Heteroaromatic compounds / Trialkylamines / Oxacyclic compounds / Azacyclic compounds / Organooxygen compounds
show 2 more
Substituents
N-arylpiperazine / Benzoxazolone / Benzoxazole / Tertiary aliphatic/aromatic amine / Dialkylarylamine / N-alkylpiperazine / N-methylpiperazine / Benzenoid / Azole / Oxazole
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Targets

Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Potassium channel regulator activity
Specific Function
Dopamine receptor whose activity is mediated by G proteins which inhibit adenylyl cyclase.
Gene Name
DRD2
Uniprot ID
P14416
Uniprot Name
D(2) dopamine receptor
Molecular Weight
50618.91 Da
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
G-protein coupled amine receptor activity
Specific Function
Dopamine receptor whose activity is mediated by G proteins which inhibit adenylyl cyclase. Promotes cell proliferation.
Gene Name
DRD3
Uniprot ID
P35462
Uniprot Name
D(3) dopamine receptor
Molecular Weight
44224.335 Da
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Sh3 domain binding
Specific Function
Dopamine receptor responsible for neuronal signaling in the mesolimbic system of the brain, an area of the brain that regulates emotion and complex behavior. Its activity is mediated by G proteins ...
Gene Name
DRD4
Uniprot ID
P21917
Uniprot Name
D(4) dopamine receptor
Molecular Weight
48359.86 Da
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Serotonin receptor activity
Specific Function
G-protein coupled receptor for 5-hydroxytryptamine (serotonin). Also functions as a receptor for various drugs and psychoactive substances. Ligand binding causes a conformation change that triggers...
Gene Name
HTR1A
Uniprot ID
P08908
Uniprot Name
5-hydroxytryptamine receptor 1A
Molecular Weight
46106.335 Da

Drug created on October 20, 2016 15:17 / Updated on December 01, 2017 17:31