Sumanirole

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

Identification

Name
Sumanirole
Accession Number
DB06477
Description
Not Available
Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 203.245
Monoisotopic: 203.105862051
Chemical Formula
C11H13N3O
Synonyms
Not Available
External IDs
  • PNU-95666E

Pharmacology

Indication

Investigated for use/treatment in parkinson's disease.

Contraindications & Blackbox Warnings
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Pharmacodynamics
Not Available
Mechanism of action

Parkinson's disease results from degeneration of the dopaminergic cells in the substantia nigra. Several dopamine receptor agonists have been used as antiparkinsonian therapy. Sumanirole is a dopamine receptor agonist with a high selectivity for the D2 receptor subtype over the other closely related D3 and D4 receptor subtypes.

TargetActionsOrganism
UDopamine D2 receptorNot AvailableHumans
UDopamine D3 receptorNot AvailableHumans
UDopamine D4 receptorNot AvailableHumans
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
Adverse Effects
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Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Sumanirole Maleate2OI87T3R1B179386-44-8VOJRMYBBPKNLLI-ORHWHDKWSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Aminoquinolines and derivatives
Direct Parent
Aminoquinolines and derivatives
Alternative Parents
Benzimidazoles / Aralkylamines / N-substituted imidazoles / Benzenoids / Heteroaromatic compounds / Ureas / Dialkylamines / Azacyclic compounds / Organooxygen compounds / Organic oxides
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Substituents
Amine / Aminoquinoline / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzimidazole / Heteroaromatic compound / Hydrocarbon derivative
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Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
3E93IV1U45
CAS number
179386-43-7
InChI Key
RKZSNTNMEFVBDT-MRVPVSSYSA-N
InChI
InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
IUPAC Name
(10R)-10-(methylamino)-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-one
SMILES
CN[[email protected]]1CN2C(=O)NC3=CC=CC(C1)=C23

References

General References
Not Available
ChemSpider
7994229
BindingDB
50056443
ChEMBL
CHEMBL419792
ZINC
ZINC000003960633
Wikipedia
Sumanirole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentParkinson's Disease (PD)2
3TerminatedTreatmentParkinson's Disease (PD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.25 mg/mLALOGPS
logP0.53ALOGPS
logP0.93ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)12.88ChemAxon
pKa (Strongest Basic)9.11ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area44.37 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity58.81 m3·mol-1ChemAxon
Polarizability21.78 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

Targets

Kind
Protein
Organism
Humans
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
Humans
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
Humans
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

Drug created on March 19, 2008 10:34 / Updated on June 12, 2020 10:52

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