Details of the Drug

General Information of Drug (ID: DMIVJMO)

Drug Name	PMID25435285-Compound-25
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	250.29
	Logarithm of the Partition Coefficient (xlogp)	2.8
	Rotatable Bond Count (rotbonds)	1
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	2
Chemical Identifiers	Formula C16H14N2O IUPAC Name 8-methyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one Canonical SMILES CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC=C3 InChI InChI=1S/C16H14N2O/c1-11-7-8-13-15(9-11)18-16(19)10-14(17-13)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19) InChIKey SCWDIXHHIUWDED-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 353213 CAS Number 64376-00-7 TTD ID D09WXH

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.