Details of the Drug

General Information of Drug (ID: DMP4VYQ)

• Drug Name: PMID25522065-Compound-19
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 434.5
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C26H30N2O4
  IUPAC Name: 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
  Canonical SMILES: COC1=C(C=CC(=C1)N2CC=C(C2=O)OC3=CC=C(C=C3)C4CC4)OCCN5CCCC5
  InChI: InChI=1S/C26H30N2O4/c1-30-25-18-21(8-11-23(25)31-17-16-27-13-2-3-14-27)28-15-12-24(26(28)29)32-22-9-6-20(7-10-22)19-4-5-19/h6-12,18-19H,2-5,13-17H2,1H3
  InChIKey: NDQYSDBXPKTXCY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 89996843
  TTD ID: D0JY4C

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.