Details of the Drug

General Information of Drug (ID: DMTXGYS)

Drug Name	6-aryl-imidazopyridine and 6-aryl-triazolopyridine carboxamide analog 1
Synonyms	PMID28067079-Compound-109
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	350.4
	Logarithm of the Partition Coefficient (xlogp)	2.3
	Rotatable Bond Count (rotbonds)	3
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	6
Chemical Identifiers	Formula C17H14N6OS IUPAC Name 6-(4-methylpyridin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide Canonical SMILES CC1=C(C=NC=C1)C2=CN3C(=NC=N3)C(=C2)C(=O)NC4=NC(=CS4)C InChI InChI=1S/C17H14N6OS/c1-10-3-4-18-6-14(10)12-5-13(15-19-9-20-23(15)7-12)16(24)22-17-21-11(2)8-25-17/h3-9H,1-2H3,(H,21,22,24) InChIKey BKRWMNODROTBAW-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 121263121 TTD ID D0GS6T

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.