Details of the Drug

General Information of Drug (ID: DMWE6NZ)

• Drug Name: PMID27607364-Compound-61
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 437.5
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C25H27FN2O4
  IUPAC Name: N-[2-(2,3-dimethylphenoxy)pyridin-3-yl]-N-[[2-(2-(18F)fluoranylethoxy)-5-methoxyphenyl]methyl]acetamide
  Canonical SMILES: CC1=C(C(=CC=C1)OC2=C(C=CC=N2)N(CC3=C(C=CC(=C3)OC)OCC[18F])C(=O)C)C
  InChI: InChI=1S/C25H27FN2O4/c1-17-7-5-9-23(18(17)2)32-25-22(8-6-13-27-25)28(19(3)29)16-20-15-21(30-4)10-11-24(20)31-14-12-26/h5-11,13,15H,12,14,16H2,1-4H3/i26-1
  InChIKey: JBDICOKSGXRRSY-KPVNRNJOSA-N
• Cross-matching ID:
  PubChem CID: 44622012
  TTD ID: D0TB2L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Translocator protein (TSPO)	TTPTXIN	TSPO_HUMAN	Ligand	[1]

References

• [1] Translocator protein (TSPO) ligands for the diagnosis or treatment of neurodegenerative diseases: a patent review (2010-2015; part 1).Expert Opin Ther Pat. 2016 Nov;26(11):1325-1351.