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Record - 1 of 3   [TOP]
Compound IDNVIC0034
Compound Structure
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InhibitorAB00991123
SMILESC1CC(=CC2=CC=CC=C21)S(=O)(=O)NC3=CC=C(C=C3)N4C=NN=N4
PubChem ID 17483530
Drug Bank ID\N
ChemSpider ID17026724
TargetReplication
Assay TypeCytotoxicity kit
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)3900.0
OutcomeInhibition of virus-induced cytopathic effect
Molecular Weight (in g/mol)353.40
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bonds4
LogP4.37
Topological Polar Surface Area (Å)97.63
PUBMED ID24735442
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 2 of 3   [TOP]
Compound IDNVIC0053
Compound Structure
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InhibitorAB00993210
SMILESCN(C)S(=O)(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C3=CC=CS3
PubChem ID 25672978
Drug Bank ID\N
ChemSpider ID22443136
TargetReplication
Assay TypeCytotoxicity kit
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)7800.0
OutcomeInhibition of virus-induced cytopathic effect
Molecular Weight (in g/mol)372.48
H-bond Acceptor7
H-bond Donor0
No. of Rotatable Bonds4
LogP1.71
Topological Polar Surface Area (Å)119.76
PUBMED ID24735442
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 3 of 3   [TOP]
Compound IDNVIC0128
Compound Structure
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InhibitorAB00992391
SMILESC1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)F)F)N3C=NN=N3
PubChem ID 8189728
Drug Bank ID\N
ChemSpider ID6491411
TargetReplication
Assay TypeCytotoxicity kit
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)11700.0
OutcomeInhibition of virus-induced cytopathic effect
Molecular Weight (in g/mol)337.31
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds4
LogP2.78
Topological Polar Surface Area (Å)97.63
PUBMED ID24735442
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
Curator Email IDkanikatuteja@gmail.com