Details of the Drug

General Information of Drug (ID: DM56I8H)

Drug Name	Quinoline derivative 7
Synonyms	PMID25435285-Compound-104
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	469.4
	Logarithm of the Partition Coefficient (xlogp)	3.2
	Rotatable Bond Count (rotbonds)	4
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	8
Chemical Identifiers	Formula C24H19F4N5O IUPAC Name 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide Canonical SMILES C1CN2C=C(N=C2CN1CC3=CC4=C(C=C3)C(=CC(=N4)C(=O)N)C5=CC=C(C=C5)F)C(F)(F)F InChI InChI=1S/C24H19F4N5O/c25-16-4-2-15(3-5-16)18-10-20(23(29)34)30-19-9-14(1-6-17(18)19)11-32-7-8-33-12-21(24(26,27)28)31-22(33)13-32/h1-6,9-10,12H,7-8,11,13H2,(H2,29,34) InChIKey CGZZSGTWUICICQ-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 89554814 TTD ID D0E5QO

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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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)

Jump to Detail Molecular Expression Atlas of This Drug

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.