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Record - 1 of 10   [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 10   [TOP]
Compound IDNVIC0054
Compound Structure
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InhibitorChloroquine
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
PubChem ID 2719
Drug Bank IDDB00608
ChemSpider ID2618
TargetRNA replication
Assay TypeCPE visual
Assay DescriptionNon-linear regression analysis
Assay SourceSigma
Cell TypeHeLa cells
IC50 (nM)620.0
EC50 (in nM)0.0
OutcomeReduce the spread and infection of NiV
Molecular Weight (in g/mol)319.88
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bonds8
LogP4.14
Topological Polar Surface Area (Å)28.16
PUBMED ID19889926
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2888097/
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 3 of 10   [TOP]
Compound IDNVIC0065
Compound Structure
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InhibitorRibavirin
SMILESC1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
PubChem ID 37542
Drug Bank IDDB00811
ChemSpider ID34439
TargetRNA replication
Assay TypeCPE visual
Assay DescriptionNon-linear regression analysis
Assay SourceValeant
Cell TypeHeLa cells
IC50 (nM)4180.0
EC50 (in nM)0.0
OutcomeReduce the spread and infection of NiV
Molecular Weight (in g/mol)244.21
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bonds3
LogP-3.00
Topological Polar Surface Area (Å)143.72
PUBMED ID19889926
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2888097/
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 4 of 10   [TOP]
Compound IDNVIC0066
Compound Structure
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InhibitorBortezomib
SMILESB(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
PubChem ID 387447
Drug Bank IDDB00188
ChemSpider ID343402
Targetmatrix protein (NiV-M)
Assay TypeCPE visual
Assay DescriptionVirus Titre Reduction assay
Assay SourceChemieTek
Cell TypeHeLa cells
IC50 (nM)2.7
EC50 (in nM)0.0
OutcomeInhibition of NiV infection.
Molecular Weight (in g/mol)384.24
H-bond Acceptor6
H-bond Donor4
No. of Rotatable Bonds11
LogP3.23
Topological Polar Surface Area (Å)124.44
PUBMED ID21085610
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2978725/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 5 of 10   [TOP]
Compound IDNVIC0078
Compound Structure
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InhibitorGS-441524 (Nuc)
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)N
PubChem ID 44468216
Drug Bank IDDB15686
ChemSpider ID28499294
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeCPE visual
Assay DescriptionNon-linear regression analysis
Assay SourceGS-441524 (Nuc) were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa cells
IC50 (nM)0.0
EC50 (in nM)490.0
OutcomeInhibition of replication in NiV (M-1999)
Molecular Weight (in g/mol)291.27
H-bond Acceptor5
H-bond Donor4
No. of Rotatable Bonds2
LogP-2.00
Topological Polar Surface Area (Å)149.92
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDpriyankapaul008@gmail.com

                  
Record - 6 of 10   [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 TypeCPE visual
Assay DescriptionNon-linear regression analysis
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeHeLa cells
IC50 (nM)0.0
EC50 (in nM)13550.0
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 - 7 of 10   [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 TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeHeLa cells
IC50 (nM)0.0
EC50 (in nM)5680.0
OutcomeInhibition of transcription in NiV-Luc2AM
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 IDpriyankapaul008@gmail.com

                  
Record - 8 of 10   [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 Typevirus titer reduction
Assay DescriptionVisually assayed for CPE
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeHeLa cells
IC50 (nM)0.0
EC50 (in nM)4000.0
OutcomeInhibition of viral replication
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 IDpriyankapaul008@gmail.com

                  
Record - 9 of 10   [TOP]
Compound IDNVIC0088
Compound Structure
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InhibitorMG132
SMILESCC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1
PubChem ID 462382
Drug Bank ID\N
ChemSpider ID406728
Targetmatrix protein (NiV-M)
Assay TypeCPE visual
Assay DescriptionVirus Titre Reduction assay
Assay SourceCalbiochem
Cell TypeHeLa cells
IC50 (nM)0.5
EC50 (in nM)0.0
OutcomeReduction in viral titers
Molecular Weight (in g/mol)475.63
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bonds18
LogP6.81
Topological Polar Surface Area (Å)113.60
PUBMED ID21085610
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2978725/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 10 of 10   [TOP]
Compound IDNVIC0118
Compound Structure
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Inhibitor25-hydroxycholesterol
SMILESCC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
PubChem ID 65094
Drug Bank IDDB04705
ChemSpider ID58604
TargetReplication
Assay TypePlaque assay
Assay DescriptionVirus Titre Reduction assay
Assay SourceProduced within mammalian species
Cell TypeHeLa cells
IC50 (nM)1000.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)402.66
H-bond Acceptor2
H-bond Donor2
No. of Rotatable Bonds5
LogP8.55
Topological Polar Surface Area (Å)40.46
PUBMED ID23273844
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC3698975/
Curator Email IDkanikatuteja@gmail.com