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
Structure
3D MOL 2D MOL
#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
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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