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Record - 1 of 3   [TOP]
Compound IDNVIC0013
Compound Structure
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InhibitorAB00991123
PubChem ID 17483530
Drug Bank ID
ChemSpider ID 17026724
SMILESC1CC(=CC2=CC=CC=C21)S(=O)(=O)NC3=CC=C(C=C3)N4C=NN=N4
Molecular Weight (in g/mol)353.398
TargetReplication
Assay TypeHigh throughput screening assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibition of 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

                  
Record - 2 of 3   [TOP]
Compound IDNVIC0014
Compound Structure
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InhibitorAB00992391
PubChem ID 8189728
Drug Bank ID
ChemSpider ID 6491411
SMILESC1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)F)F)N3C=NN=N3
Molecular Weight (in g/mol)337.305
TargetReplication
Assay TypeHigh throughput screening assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibition of virus-induced cytopathic effect
IC50 (in nM)
EC50 (in nM)11700
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bond Count4
XLogP2.78
PSA97.63
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature] 24735442
Curatorkanikatuteja@gmail.com

                  
Record - 3 of 3   [TOP]
Compound IDNVIC0015
Compound Structure
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InhibitorAB00993210
PubChem ID 25672978
Drug Bank ID
ChemSpider ID 22443136
SMILESCN(C)S(=O)(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C3=CC=CS3
Molecular Weight (in g/mol)372.483
TargetReplication
Assay TypeHigh throughput screening assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibition of virus-induced cytopathic effect
IC50 (in nM)
EC50 (in nM)7800
H-bond Acceptor7
H-bond Donor0
No. of Rotatable Bond Count4
XLogP1.71
PSA119.76
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature] 24735442
Curatorkanikatuteja@gmail.com