Details of the Drug

General Information of Drug (ID: DMBWA0V)

Drug Name	PMID25522065-Compound-50
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	377.4
	Logarithm of the Partition Coefficient (xlogp)	3.6
	Rotatable Bond Count (rotbonds)	5
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C22H20FN3O2 IUPAC Name 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one Canonical SMILES CCC1=NC2=C(N1C)C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F InChI InChI=1S/C22H20FN3O2/c1-3-21-24-19-9-8-17(12-20(19)25(21)2)26-11-10-18(13-22(26)27)28-14-15-4-6-16(23)7-5-15/h4-13H,3,14H2,1-2H3 InChIKey UDLQRAVGQUJISV-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 71660914 TTD ID D03KWP

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.