Details of the Drug

General Information of Drug (ID: DMH3CK0)

• Drug Name: PMID25522065-Compound-37
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 397.4
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C23H24FNO4
  IUPAC Name: 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one
  Canonical SMILES: CC1=C(C=CC(=C1)N2C=CC(=CC2=O)OCC3=CC=C(C=C3)F)OCC(C)(C)O
  InChI: InChI=1S/C23H24FNO4/c1-16-12-19(8-9-21(16)29-15-23(2,3)27)25-11-10-20(13-22(25)26)28-14-17-4-6-18(24)7-5-17/h4-13,27H,14-15H2,1-3H3
  InChIKey: WCMFUWBVIKILDJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46911512
  TTD ID: D0J6MM

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]

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

References

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