Details of the Drug

General Information of Drug (ID: DMD9VC1)

• Drug Name: Benzimidazolone acetamide derivative 2
• Synonyms: PMID27607364-Compound-182
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 371.4
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C23H21N3O2
  IUPAC Name: N-methyl-2-(3-methyl-2-oxo-6-phenylbenzimidazol-1-yl)-N-phenylacetamide
  Canonical SMILES: CN1C2=C(C=C(C=C2)C3=CC=CC=C3)N(C1=O)CC(=O)N(C)C4=CC=CC=C4
  InChI: InChI=1S/C23H21N3O2/c1-24(19-11-7-4-8-12-19)22(27)16-26-21-15-18(17-9-5-3-6-10-17)13-14-20(21)25(2)23(26)28/h3-15H,16H2,1-2H3
  InChIKey: KWRWRRZPFCLHLS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71716969
  TTD ID: D0AC4P

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.