Details of the Drug

General Information of Drug (ID: DM71LVY)

Drug Name	Tetra-hydro-imidazo[1,5-d][1,4]oxazepin-3-yl derivative 3
Synonyms	PMID25435285-Compound-93
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	397.9
	Logarithm of the Partition Coefficient (xlogp)	4
	Rotatable Bond Count (rotbonds)	3
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C22H24ClN3O2 IUPAC Name (6R)-3-(4-chloro-3-methoxyphenyl)-1-(2,6-dimethylpyridin-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)Cl)OC)C4=CC(=NC(=C4)C)C)CCO1 InChI InChI=1S/C22H24ClN3O2/c1-13-9-17(10-14(2)24-13)21-19-7-8-28-15(3)12-26(19)22(25-21)16-5-6-18(23)20(11-16)27-4/h5-6,9-11,15H,7-8,12H2,1-4H3/t15-/m1/s1 InChIKey MPBPPCNVMAZSGS-OAHLLOKOSA-N
Cross-matching ID	PubChem CID 78324632 TTD ID D0C2ZJ

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.