Details of the Drug

General Information of Drug (ID: DMHSGPU)

• Drug Name: PMID25522065-Compound-23
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 451.9
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C23H22ClN5O3
  IUPAC Name: 2-[5-[4-[(5-chloropyridin-2-yl)methoxy]-2-oxopyridin-1-yl]pyridin-2-yl]-2,7-diazaspiro[3.5]nonan-3-one
  Canonical SMILES: C1CNCCC12CN(C2=O)C3=NC=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)Cl
  InChI: InChI=1S/C23H22ClN5O3/c24-16-1-2-17(26-12-16)14-32-19-5-10-28(21(30)11-19)18-3-4-20(27-13-18)29-15-23(22(29)31)6-8-25-9-7-23/h1-5,10-13,25H,6-9,14-15H2
  InChIKey: SIMRWGQXBPBXAH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 49793260
  TTD ID: D0GN5K

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.