Details of the Drug

General Information of Drug (ID: DMSIKM2)

Drug Name	PMID25435285-Compound-38
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	324.69
	Logarithm of the Partition Coefficient (xlogp)	3.5
	Rotatable Bond Count (rotbonds)	2
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	6
Chemical Identifiers	Formula C14H8ClF3N4 IUPAC Name 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine Canonical SMILES C1=CC(=CC=C1C2=CC(=NC(=N2)N3C=CN=C3)C(F)(F)F)Cl InChI InChI=1S/C14H8ClF3N4/c15-10-3-1-9(2-4-10)11-7-12(14(16,17)18)21-13(20-11)22-6-5-19-8-22/h1-8H InChIKey LXVWPYFCJFOEJE-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 3415095 TTD ID D0IL4Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 2 (mGluR2)	TTXJ47W	GRM2_HUMAN	Antagonist	[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 2 (mGluR2)	DTT	GRM2	1.09E-01	-0.11	-0.2
Metabotropic glutamate receptor 2 (mGluR2)	DTT	GRM2	3.19E-01	-0.06	-0.34

Molecular Expression Atlas (MEA)

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References

1	Novel metabotropic glutamate receptor 2/3 antagonists and their therapeutic applications: a patent review (2005 - present).Expert Opin Ther Pat. 2015 Jan;25(1):69-90.