Details of the Drug

General Information of Drug (ID: DM21J83)

Drug Name	Tetra-hydro-oxazolopyridine derivative 4
Synonyms	PMID28067079-Compound-64
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	339.8
	Logarithm of the Partition Coefficient (xlogp)	2.7
	Rotatable Bond Count (rotbonds)	2
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C18H14ClN3O2 IUPAC Name [2-(5-chloropyridin-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone Canonical SMILES C1CN(CC2=C1OC(=N2)C3=NC=C(C=C3)Cl)C(=O)C4=CC=CC=C4 InChI InChI=1S/C18H14ClN3O2/c19-13-6-7-14(20-10-13)17-21-15-11-22(9-8-16(15)24-17)18(23)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2 InChIKey NUNJYRYJNBEYPH-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 137639643 TTD ID D0RU0W

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Modulator	[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 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	mGlu5 negative allosteric modulators: a patent review (2013 - 2016).Expert Opin Ther Pat. 2017 Jun;27(6):691-706.