Details of the Drug

General Information of Drug (ID: DMLY3RE)

• Drug Name: US8877733, 28
• Synonyms: CHEMBL3686494; BDBM139221; US8877733, 28
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 522.19
  Logarithm of the Partition Coefficient (xlogp); -6.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 7
  Hydrogen Bond Acceptor Count (hbondacc); 15
• Chemical Identifiers:
  Formula: C11H17N4O14P3
  IUPAC Name: [[(2S,3S,4S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-cyano-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
  Canonical SMILES: C[C@@]1([C@H]([C@@H](O[C@]1(C#N)N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
  InChI: InChI=1S/C11H17N4O14P3/c1-10(18)8(16)6(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-11(10,5-12)15-3-2-7(13)14-9(15)17/h2-3,6,8,16,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,13,14,17)(H2,19,20,21)/t6-,8-,10-,11-/m0/s1
  InChIKey: KAONGDYMRWWDBJ-SEZOGAINSA-N
• Cross-matching ID:
  PubChem CID: 91669039
  TTD ID: D0L3TL

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] 1-substituted pyrimidine N-nucleoside analogs for antiviral treatment. US8877733.