Details of the Drug

General Information of Drug (ID: DMAMRPW)

• Drug Name: PMID25522065-Compound-9
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 386.4
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C23H22N4O2
  IUPAC Name: 1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-phenylmethoxypyridin-2-one
  Canonical SMILES: CN1C2=C(CNCC2)C3=C1N=C(C=C3)N4C=CC(=CC4=O)OCC5=CC=CC=C5
  InChI: InChI=1S/C23H22N4O2/c1-26-20-9-11-24-14-19(20)18-7-8-21(25-23(18)26)27-12-10-17(13-22(27)28)29-15-16-5-3-2-4-6-16/h2-8,10,12-13,24H,9,11,14-15H2,1H3
  InChIKey: SXWOYRGICAISET-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 57524505
  TTD ID: D08JKR

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.