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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

265.28

Logarithm of the Partition Coefficient (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

Repurposed Drugs (RPD)

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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	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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

Molecular Expression Atlas (MEA)

MEA Detail

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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	Pipeline of Addex Pharma. Addex Pharma. 2009.