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
Structure for Dipraglurant (DB12733)
- Weight
- Average: 265.291
Monoisotopic: 265.101525561 - Chemical Formula
- C16H12FN3
- Synonyms
- Dipraglurant
- External IDs
- ADX-48621
- ADX48621
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UMetabotropic glutamate receptor 5 Not Available Humans - 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- PubChem Compound
- 44557636
- PubChem Substance
- 347828927
- ChemSpider
- 25069676
- BindingDB
- 50431705
- ChEMBL
- CHEMBL2346738
- ZINC
- ZINC000072266314
- Wikipedia
- Dipraglurant
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Parkinson's Disease (PD) 1 2 Recruiting Treatment Blepharospasm / Dystonia 1 2, 3 Recruiting Treatment Drug Induced Dyskinesia / Dyskinesia / Parkinson's Disease (PD) 2 1 Completed Other Healthy Subjects (HS) 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
Property Value Source Water Solubility 0.00458 mg/mL ALOGPS logP 3.45 ALOGPS logP 2.95 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 17.86 Chemaxon pKa (Strongest Basic) 6.58 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 30.19 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 73.17 m3·mol-1 Chemaxon Polarizability 28.62 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- 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