Details of the Drug

General Information of Drug (ID: DMEU48I)

Drug Name	PMID25522065-Compound-51
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	363.4
	Logarithm of the Partition Coefficient (xlogp)	3.1
	Rotatable Bond Count (rotbonds)	4
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C21H18FN3O2 IUPAC Name 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one Canonical SMILES CC1=NC2=C(N1C)C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F InChI InChI=1S/C21H18FN3O2/c1-14-23-19-8-7-17(11-20(19)24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3 InChIKey WSKXMIQVCMWHGL-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 71660917 TTD ID D0Q1NA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melanin-concentrating hormone receptor 1 (MCHR1)	TTX4RTB	MCHR1_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
Melanin-concentrating hormone receptor 1 (MCHR1)	DTT	MCHR1	6.98E-01	-0.01	-0.04

Molecular Expression Atlas (MEA)

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References

1	Novel MCH1 receptor antagonists: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):193-207.