Details of the Drug

General Information of Drug (ID: DM6GTMD)

• Drug Name: ADX-48621
• Synonyms: Dipraglurant; 872363-17-2; UNII-CV8JZR21A1; ADX48621; CV8JZR21A1; CHEMBL2346738; 6-fluoro-2-[4-(2-pyridinyl)-3-butyn-1-yl]-Imidazo[1,2-a]pyridine; Dipraglurant [INN]; ADX-48621; SCHEMBL103033; GTPL6452; C16H12FN3; DTXSID90236230; BCP23706; BDBM50431705; ZINC72266314; 3590AH; 6-Fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo(1,2-a)pyridine; AKOS030526956; SB16993; DB12733; CS-0690; NCGC00351745-02; HY-14859; DB-076892; FT-0705373; J3.560.334D; W-5761; ADX 48621;ADX48621;ADX-48621

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Phase 2/3	[1]
Dyskinesia	MB47.4	Phase 2	[2]
Mood disorder	6A60-6E23	Phase 2	[3], [4]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 265.28
  Topological Polar Surface Area (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H12FN3
  IUPAC Name: 6-fluoro-2-(4-pyridin-2-ylbut-3-ynyl)imidazo[1,2-a]pyridine
  Canonical SMILES: C1=CC=NC(=C1)C#CCCC2=CN3C=C(C=CC3=N2)F
  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
  InChIKey: LZXMUJCJAWVHPZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44557636
  CAS Number: 872363-17-2
  DrugBank ID: DB12733
  TTD ID: D0I5TL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Modulator	[5]

Molecular Expression Atlas of This Drug

• The Studied Disease: Parkinson disease
• ICD Disease Classification: 8A00.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

References

• [1] ClinicalTrials.gov (NCT04857359) Dipraglurant (ADX48621) for the Treatment of Patients With Parkinson's Disease Receiving Levodopa-based Therapy. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6452).
• [4] ClinicalTrials.gov (NCT01336088) ADX48621 for the Treatment of Levodopa Induced Dyskinesia in Patients With Parkinson's Disease. U.S. National Institutes of Health.
• [5] Pipeline of Addex Pharma. Addex Pharma. 2009.
• [6] Metabolism and disposition of the metabotropic glutamate receptor 5 antagonist (mGluR5) mavoglurant (AFQ056) in healthy subjects. Drug Metab Dispos. 2013 Sep;41(9):1626-41.
• [7] The challenges of clinical trials in fragile X syndrome. Psychopharmacology (Berl) 2014; 231(6): 1237-1250.
• [8] Social Communication is an Emerging Target for Pharmacotherapy in Autism Spectrum Disorder - A Review of the Literature on Potential Agents. J Can Acad Child Adolesc Psychiatry. 2014 February; 23(1):20-30.
• [9] A proof-of-concept study evaluating the effect of ADX10059, a metabotropic glutamate receptor-5 negative allosteric modulator, on acid exposure and... Gut. 2009 Sep;58(9):1192-9.
• [10] Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
• [11] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 293).
• [12] Fenobam: a clinically validated nonbenzodiazepine anxiolytic is a potent, selective, and noncompetitive mGlu5 receptor antagonist with inverse agon... J Pharmacol Exp Ther. 2005 Nov;315(2):711-21.
• [13] Clinical pipeline report, company report or official report of Roche.
• [14] mGlu5 negative allosteric modulators: a patent review (2013 - 2016).Expert Opin Ther Pat. 2017 Jun;27(6):691-706.