Details of the Drug

General Information of Drug (ID: DMWU8VM)

Drug Name	Imidazopyridine and triazolopyridine compound 3
Synonyms	PMID28067079-Compound-107
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	368.3
	Logarithm of the Partition Coefficient (xlogp)	1.5
	Rotatable Bond Count (rotbonds)	4
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	8
Chemical Identifiers	Formula C17H10F2N6O2 IUPAC Name N-(5-fluoropyridin-2-yl)-6-(5-fluoropyridin-3-yl)oxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide Canonical SMILES C1=CC(=NC=C1F)NC(=O)C2=CC(=CN3C2=NC=N3)OC4=CC(=CN=C4)F InChI InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)24-17(26)14-4-13(8-25-16(14)22-9-23-25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,24,26) InChIKey UQYDLTVGUNGXDW-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 91799365 TTD ID D08DMM

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	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

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)

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References

1	mGlu5 negative allosteric modulators: a patent review (2013 - 2016).Expert Opin Ther Pat. 2017 Jun;27(6):691-706.