Details of the Drug

General Information of Drug (ID: DMMOV67)

• Drug Name: PMID25522065-Compound-30
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 479.6
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C26H26FN3O3S
  IUPAC Name: 2-(4-fluorophenyl)sulfanyl-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
  Canonical SMILES: COC1=C(C=CC(=C1)N2CC3=C(C2=O)N=C(C=C3)SC4=CC=C(C=C4)F)OCCN5CCCC5
  InChI: InChI=1S/C26H26FN3O3S/c1-32-23-16-20(7-10-22(23)33-15-14-29-12-2-3-13-29)30-17-18-4-11-24(28-25(18)26(30)31)34-21-8-5-19(27)6-9-21/h4-11,16H,2-3,12-15,17H2,1H3
  InChIKey: IOVNPTLMMFSPCO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 60169096
  TTD ID: D0V8FC

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.