Details of the Drug

General Information of Drug (ID: DMAP1DN)

• Drug Name: US10087167, Compound 4001
• Synonyms: SCHEMBL18034175; BDBM287990; US10087167, Compound 4001
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 692.7
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 12
• Chemical Identifiers:
  Formula: C32H29F5N4O6S
  IUPAC Name: 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carboxamide
  Canonical SMILES: CNC(=O)C1=C(OC2=CC(=C(C=C21)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C(=O)C(F)(F)F)N(CCF)S(=O)(=O)C)C5=CC=C(C=C5)F
  InChI: InChI=1S/C32H29F5N4O6S/c1-38-29(42)27-24-17-23(20-4-3-5-21(16-20)30(43)39-12-14-40(15-13-39)31(44)32(35,36)37)25(41(11-10-33)48(2,45)46)18-26(24)47-28(27)19-6-8-22(34)9-7-19/h3-9,16-18H,10-15H2,1-2H3,(H,38,42)
  InChIKey: QALVUUHEMYLFBN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 122503925
  TTD ID: D04NQY

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.