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Compound IDNVIC0013
Compound Structure
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InhibitorAB00991123
PubChem ID   17483530
Drug Bank ID
ChemSpider ID17026724
SMILESC1ccc2c(c1)CCC(=C2)S(=O)(=O)Nc3ccc(cc3)n4cnnn4
Molecular Weight353.398 g/mol
TargetReplication
Assay TypeHTS assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibited the virus-induced cytopathic effect
IC50 (in nM)
EC50 (in nM)3900
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bond Count4
XLogP4.37
PSA97.63
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature]24735442
CuratorKanikatuteja@gmail.com