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Record - 1 of 9   [TOP]
Compound IDNVIC0015
Compound Structure
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InhibitorGS-5734
SMILESCCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
PubChem ID 121304016
Drug Bank IDDB14761
ChemSpider ID58827832
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeCytotoxicity kit
Assay DescriptionNon-linear regression analysis
Assay SourceGS-5734 were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa cells
IC50 (nM)0.0
EC50 (in nM)47.0
OutcomeInhibition of replication in NiV (M-1999)
Molecular Weight (in g/mol)602.59
H-bond Acceptor10
H-bond Donor4
No. of Rotatable Bonds14
LogP2.10
Topological Polar Surface Area (Å)213.36
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDpriyankapaul008@gmail.com

                  
Record - 2 of 9   [TOP]
Compound IDNVIC0015
Compound Structure
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InhibitorGS-5734
SMILESCCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
PubChem ID 121304016
Drug Bank IDDB14761
ChemSpider ID58827832
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeCytotoxicity kit
Assay DescriptionNon-linear regression analysis
Assay SourceGS-5734 were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa and H358 cells
IC50 (nM)0.0
EC50 (in nM)32.0
OutcomeInhibition of replication in NiV (B-2004) or Inhibition of virus-induced CPE
Molecular Weight (in g/mol)602.59
H-bond Acceptor10
H-bond Donor4
No. of Rotatable Bonds14
LogP2.10
Topological Polar Surface Area (Å)213.36
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDpriyankapaul008@gmail.com

                  
Record - 3 of 9   [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 - 4 of 9   [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 - 5 of 9   [TOP]
Compound IDNVIC0086
Compound Structure
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InhibitorR1479
SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
PubChem ID 457388
Drug Bank ID\N
ChemSpider ID402579
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeCytotoxicity kit
Assay DescriptionNon-linear regression analysis
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeNCI-H358 cells
IC50 (nM)0.0
EC50 (in nM)2630.0
OutcomeReduction in cell viability
Molecular Weight (in g/mol)284.23
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bonds3
LogP-2.10
Topological Polar Surface Area (Å)140.97
PUBMED ID28629988
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5648002/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 6 of 9   [TOP]
Compound IDNVIC0092
Compound Structure
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InhibitorFavipiravir
SMILESC1=C(N=C(C(=O)N1)C(=O)N)F
PubChem ID 492405
Drug Bank IDDB12466
ChemSpider ID431002
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeCytotoxicity kit
Assay DescriptionPlaque assay
Assay SourceToyama Chemical Company, Ltd. (Toyama, Japan)
Cell TypeVero CCL81 cells
IC50 (nM)0.0
EC50 (in nM)44240.0
OutcomeReduction of viral titres in a dose-dependent manner for NiV-Malaysia (NiV-M)
Molecular Weight (in g/mol)157.10
H-bond Acceptor4
H-bond Donor2
No. of Rotatable Bonds1
LogP-0.30
Topological Polar Surface Area (Å)89.10
PUBMED ID29765101
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5954062/
Curator Email IDanshu@imtech.res.in

                  
Record - 7 of 9   [TOP]
Compound IDNVIC0092
Compound Structure
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InhibitorFavipiravir
SMILESC1=C(N=C(C(=O)N1)C(=O)N)F
PubChem ID 492405
Drug Bank IDDB12466
ChemSpider ID431002
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeCytotoxicity kit
Assay DescriptionPlaque assay
Assay SourceToyama Chemical Company, Ltd. (Toyama, Japan)
Cell TypeVero CCL81 cells
IC50 (nM)0.0
EC50 (in nM)14820.0
OutcomeReduction of viral titres in a dose-dependent manner for NiV-Bangladesh (NiV-B)
Molecular Weight (in g/mol)157.10
H-bond Acceptor4
H-bond Donor2
No. of Rotatable Bonds1
LogP-0.30
Topological Polar Surface Area (Å)89.10
PUBMED ID29765101
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5954062/
Curator Email IDanshu@imtech.res.in

                  
Record - 8 of 9   [TOP]
Compound IDNVIC0092
Compound Structure
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InhibitorFavipiravir
SMILESC1=C(N=C(C(=O)N1)C(=O)N)F
PubChem ID 492405
Drug Bank IDDB12466
ChemSpider ID431002
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeCytotoxicity kit
Assay DescriptionPlaque assay
Assay SourceToyama Chemical Company, Ltd. (Toyama, Japan)
Cell TypeVero CCL81 cells
IC50 (nM)0.0
EC50 (in nM)14570.0
OutcomeReduction of viral titres in a dose-dependent manner for recombinant NiV expressing Gaussia luciferase and eGFP (rNiV-Gluc-eGFP)
Molecular Weight (in g/mol)157.10
H-bond Acceptor4
H-bond Donor2
No. of Rotatable Bonds1
LogP-0.30
Topological Polar Surface Area (Å)89.10
PUBMED ID29765101
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5954062/
Curator Email IDanshu@imtech.res.in

                  
Record - 9 of 9   [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