NAV

Dipraglurant

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

Identification

Generic Name
Dipraglurant
DrugBank Accession Number
DB12733
Background

Dipraglurant has been used in trials studying the treatment of Parkinson's Disease. It is a metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator (NAM).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 265.291
Monoisotopic: 265.101525561
Chemical Formula
C16H12FN3
Synonyms
  • Dipraglurant
External IDs
  • ADX-48621
  • ADX48621
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UMetabotropic glutamate receptor 5Not 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

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

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Imidazopyridines
Sub Class
Not Available
Direct Parent
Imidazopyridines
Alternative Parents
Imidazo[1,2-a]pyridines / Pyridines and derivatives / N-substituted imidazoles / Aryl fluorides / Heteroaromatic compounds / Azacyclic compounds / Organonitrogen compounds / Organofluorides / Hydrocarbon derivatives
Substituents
Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Imidazo[1,2-a]pyridine / Imidazole / Imidazopyridine
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
CV8JZR21A1
CAS number
872363-17-2
InChI Key
LZXMUJCJAWVHPZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2
IUPAC Name
2-(4-{6-fluoroimidazo[1,2-a]pyridin-2-yl}but-1-yn-1-yl)pyridine
SMILES
FC1=CN2C=C(CCC#CC3=CC=CC=N3)N=C2C=C1

References

General References
Not Available
PubChem Compound
44557636
PubChem Substance
347828927
ChemSpider
25069676
BindingDB
50431705
ChEMBL
CHEMBL2346738
ZINC
ZINC000072266314
Wikipedia
Dipraglurant

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentParkinson's Disease (PD)1
2RecruitingTreatmentBlepharospasm / Dystonia1
2, 3RecruitingTreatmentDrug Induced Dyskinesia / Dyskinesia / Parkinson's Disease (PD)2
1CompletedOtherHealthy Volunteers (HV)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 Solubility0.00458 mg/mLALOGPS
logP3.45ALOGPS
logP2.95Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)17.86Chemaxon
pKa (Strongest Basic)6.58Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area30.19 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity73.17 m3·mol-1Chemaxon
Polarizability28.62 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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-MSsplash10-0hg2-6790000000-1cb3c8da07df60dbef50
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-bf02d55f9a3542f516f4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0296-1390000000-9096c33f458a000945e0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0190000000-41da26fcc784e0715e34
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-09652bdb819ce7cbf678
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ufu-1930000000-375893c28f10303db6ec
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000j-2960000000-c5ef7ca247efe5ac471e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-160.53786
predicted
DeepCCS 1.0 (2019)
[M+H]+162.89586
predicted
DeepCCS 1.0 (2019)
[M+Na]+168.98901
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Metabotropic glutamate receptor 5
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Glutamate receptor activity
Specific Function
G-protein coupled receptor for glutamate. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down...
Gene Name
GRM5
Uniprot ID
P41594
Uniprot Name
Metabotropic glutamate receptor 5
Molecular Weight
132467.635 Da

Drug created at October 20, 2016 23:55 / Updated at February 21, 2021 18:53