Details of the Drug

General Information of Drug (ID: DMLW7YO)

Drug Name	Tetra-hydro-oxazolopyridine derivative 6
Synonyms	PMID28067079-Compound-66
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	371.8
	Logarithm of the Partition Coefficient (xlogp)	3.1
	Rotatable Bond Count (rotbonds)	2
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C19H15ClFN3O2 IUPAC Name (3-chloro-5-methylphenyl)-[2-(5-fluoropyridin-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone Canonical SMILES CC1=CC(=CC(=C1)Cl)C(=O)N2CCC3=C(C2)N=C(O3)C4=NC=C(C=C4)F InChI InChI=1S/C19H15ClFN3O2/c1-11-6-12(8-13(20)7-11)19(25)24-5-4-17-16(10-24)23-18(26-17)15-3-2-14(21)9-22-15/h2-3,6-9H,4-5,10H2,1H3 InChIKey NMKCKZQPMUTSIC-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 137637236 TTD ID D0XX9N

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]

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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 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

Molecular Expression Atlas (MEA)

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References

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