Details of the Drug

General Information of Drug (ID: DMG5J9Z)

• Drug Name: PMID25522065-Compound-20
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 412.9
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C21H21ClN4O3
  IUPAC Name: 4-[(5-chloropyridin-2-yl)methoxy]-1-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl]pyridin-2-one
  Canonical SMILES: C1C[C@@H](N(C1)C2=NC=C(C=C2)N3C=CC(=CC3=O)OCC4=NC=C(C=C4)Cl)CO
  InChI: InChI=1S/C21H21ClN4O3/c22-15-3-4-16(23-11-15)14-29-19-7-9-26(21(28)10-19)17-5-6-20(24-12-17)25-8-1-2-18(25)13-27/h3-7,9-12,18,27H,1-2,8,13-14H2/t18-/m1/s1
  InChIKey: FLLZLALIXHIFNL-GOSISDBHSA-N
• Cross-matching ID:
  PubChem CID: 49793232
  TTD ID: D0Y0RS

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.