Details of the Drug

General Information of Drug (ID: DMITOY6)

• Drug Name: US10087167, Compound 3003
• Synonyms: SCHEMBL18034173; BDBM287989; US10087167, Compound 3003
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 681.8
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C32H32FN5O7S2
  IUPAC Name: 5-[3-(3-cyano-4-methylsulfonylpiperazine-1-carbonyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
  Canonical SMILES: CCN(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(=O)N5CCN(C(C5)C#N)S(=O)(=O)C)S(=O)(=O)C
  InChI: InChI=1S/C32H32FN5O7S2/c1-5-37(46(3,41)42)27-17-28-26(29(31(39)35-2)30(45-28)20-9-11-23(33)12-10-20)16-25(27)21-7-6-8-22(15-21)32(40)36-13-14-38(47(4,43)44)24(18-34)19-36/h6-12,15-17,24H,5,13-14,19H2,1-4H3,(H,35,39)
  InChIKey: WEBAERCGMUCGLL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 122503923
  TTD ID: D0G4LV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatitis C virus Core protein messenger RNA (HCV Core mRNA)	TTQFZWR	POLG_HCV1	Inhibitor	[1]

References

• [1] Benzofurans substituted with secondary benzamide as HCV inhibitors. US10087167.