Details of the Drug

General Information of Drug (ID: DMSUB64)

Drug Name
BAY 57-1293
Synonyms
Pritelivir; 348086-71-5; BAY-57-1293; UNII-07HQ1TJ4JE; AIC316; BAY57-1293; 07HQ1TJ4JE; Pritelivir (BAY 57-1293); N-Methyl-N-(4-methyl-5-sulfamoylthiazol-2-yl)-2-(4-(pyridin-2-yl)phenyl)acetamide; N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide; Pritelivir [INN]; AIC-316; AIC 316; AC1LANY1; PritelivirBAY-57-1293; SCHEMBL1074614; Pritelivir(BAY 57-1293); DTXSID70188344; EX-A247; MolPort-029-887-140; IVZKZONQVYTCKC-UHFFFAOYSA-N; HMS3653B15; BCP08742
Indication
Disease Entry ICD 11 Status REF
Herpes simplex virus infection 1F00 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 402.5
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C18H18N4O3S2
IUPAC Name
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
Canonical SMILES
CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)N
InChI
InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
InChIKey
IVZKZONQVYTCKC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
491941
CAS Number
348086-71-5
DrugBank ID
DB11844
TTD ID
D05ZXZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Herpes simplex virus Helicase-primase (HSV UL8) TTKCVJR HEPA_HHV11 Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01658826) Safety and Efficacy Comparator Trial of a New Drug Against Genital Herpes. U.S. National Institutes of Health.
2 Helicase primase: targeting the Achilles heel of herpes simplex viruses. Antivir Chem Chemother. 2004 May;15(3):135-40.