Details of the Drug

General Information of Drug (ID: DM8SWVN)

• Drug Name: V-165
• Synonyms: V-165; 223393-69-9; 5-(4-nitrophenyl)-2,8-dithioxo-5,7,8,9-tetrahydro-2H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6(1H,3H)-dione; NSC705851; AC1MFLNX; V 165; CHEMBL178865; SCHEMBL13788910; MolPort-000-782-351; MolPort-000-751-505; ZINC13799665; STL349538; STL150551; AKOS005750605; AKOS022142146; NSC-705851; MCULE-8450455381; NCI60_037697; ST51021506; 4-(4-nitrophenyl)-2,2-bis(sulfanyl)[ ]-4,4-diol; 2,8-Dimercapto-5-(4-nitro-phenyl)-5H-pyrano[2,3-d; 2,8-dimercapto-5-(4-nitrophenyl)-5h-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 403.4
  Logarithm of the Partition Coefficient (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C15H9N5O5S2
  IUPAC Name: 9-(4-nitrophenyl)-5,13-bis(sulfanylidene)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-7,11-dione
  Canonical SMILES: C1=CC(=CC=C1C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4)[N+](=O)[O-]
  InChI: InChI=1S/C15H9N5O5S2/c21-10-8-7(5-1-3-6(4-2-5)20(23)24)9-11(22)17-15(27)19-13(9)25-12(8)18-14(26)16-10/h1-4,7H,(H2,16,18,21,26)(H2,17,19,22,27)
  InChIKey: UYLYXNZSRMQYRO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2921179
  CAS Number: 223393-69-9
  TTD ID: D07ECH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Integrase (HIV IN)	TT5FH9Y	POL_HV1B1	Inhibitor	[1]

References

• [1] New class of HIV integrase inhibitors that block viral replication in cell culture. Curr Biol. 2002 Jul 23;12(14):1169-77.