Details of the Drug

General Information of Drug (ID: DMTN79G)

Drug Name	PMID25435285-Compound-42
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 1	Molecular Weight (mw)	405.4
	Logarithm of the Partition Coefficient (xlogp)	5.6
	Rotatable Bond Count (rotbonds)	3
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	6
Chemical Identifiers	Formula C24H18F3N3 IUPAC Name 5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-yl]phenyl]pyridin-2-amine Canonical SMILES CC1=CC(=CC(=N1)C2=CC=CC(=C2)C3=CN=C(C=C3)N)C4=CC=C(C=C4)C(F)(F)F InChI InChI=1S/C24H18F3N3/c1-15-11-20(16-5-8-21(9-6-16)24(25,26)27)13-22(30-15)18-4-2-3-17(12-18)19-7-10-23(28)29-14-19/h2-14H,1H3,(H2,28,29) InChIKey PGUYKLHAVPKWNB-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 60209373 TTD ID D0N1CC

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.