Details of the Drug

General Information of Drug (ID: DMHI4L6)

• Drug Name: PMID25522065-Compound-48
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 439.9
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C24H22ClNO5
  IUPAC Name: 2-(4-chlorophenyl)-5-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]furo[3,2-c]pyridin-4-one
  Canonical SMILES: CC(C)(COC1=C(C=C(C=C1)N2C=CC3=C(C2=O)C=C(O3)C4=CC=C(C=C4)Cl)OC)O
  InChI: InChI=1S/C24H22ClNO5/c1-24(2,28)14-30-20-9-8-17(12-22(20)29-3)26-11-10-19-18(23(26)27)13-21(31-19)15-4-6-16(25)7-5-15/h4-13,28H,14H2,1-3H3
  InChIKey: UBVMNCOEYQICSI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71816529
  TTD ID: D0M8KC

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.