Details of the Drug

General Information of Drug (ID: DM7C0R8)

Drug Name	Tetra-hydro-imidazo[1,5-d][1,4]oxazepin-3-yl derivative 5
Synonyms	PMID25435285-Compound-95
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	421.5
	Logarithm of the Partition Coefficient (xlogp)	4
	Rotatable Bond Count (rotbonds)	5
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C25H28FN3O2 IUPAC Name (6R)-3-(4-cyclopropyloxy-3-methylphenyl)-1-[2-(fluoromethyl)-6-methylpyridin-4-yl]-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine Canonical SMILES C[C@@H]1CN2C(=C(N=C2C3=CC(=C(C=C3)OC4CC4)C)C5=CC(=NC(=C5)C)CF)CCO1 InChI InChI=1S/C25H28FN3O2/c1-15-10-18(4-7-23(15)31-21-5-6-21)25-28-24(19-11-16(2)27-20(12-19)13-26)22-8-9-30-17(3)14-29(22)25/h4,7,10-12,17,21H,5-6,8-9,13-14H2,1-3H3/t17-/m1/s1 InChIKey AOKFYLVAJDLEJH-QGZVFWFLSA-N
Cross-matching ID	PubChem CID 131636429 TTD ID D0Q2FC

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.