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Record - 1 of 28   [TOP]
Compound IDNVIC0003
Compound Structure
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InhibitorComp11163
SMILESCC(=C)C1CC2=C(O1)C=CC3=C2NC(=O)C34CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6
PubChem ID 102224080
Drug Bank ID\N
ChemSpider ID\N
TargetRNA-dependent RNA polymerase (RdRp)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of RNA-dependent RNA polymerase (RdRp)
Molecular Weight (in g/mol)447.53
H-bond Acceptor7
H-bond Donor2
No. of Rotatable Bonds1
LogP2.84
Topological Polar Surface Area (Å)87.74
PUBMED ID36907056
Referencehttps://pubmed.ncbi.nlm.nih.gov/36907056/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 2 of 28   [TOP]
Compound IDNVIC0007
Compound Structure
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InhibitorComp4641
SMILESCC(C)CC1C(=O)N2C(N1)C3(CC4C(=O)NC(O3)(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72
PubChem ID 10552917
Drug Bank ID\N
ChemSpider ID8728308
TargetRNA-dependent RNA polymerase (RdRp)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of RNA-dependent RNA polymerase (RdRp)
Molecular Weight (in g/mol)485.53
H-bond Acceptor9
H-bond Donor2
No. of Rotatable Bonds2
LogP2.97
Topological Polar Surface Area (Å)105.56
PUBMED ID36907056
Referencehttps://pubmed.ncbi.nlm.nih.gov/36907056/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 3 of 28   [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 TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceGS-5734 were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)45.0
OutcomeInhibition of transcription in NiV (Rec. M-Luc2AM)
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 IDanshu@imtech.res.in

                  
Record - 4 of 28   [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 TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceGS-5734 were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)29.0
OutcomeInhibition of transcription in NiV (Rec. M-GFP2AM)
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 - 5 of 28   [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 - 6 of 28   [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 - 7 of 28   [TOP]
Compound IDNVIC0022
Compound Structure
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InhibitorComp12696
SMILESCC1C(=O)N2C(N1)C3(CC4C(O3)(C(C(=O)C5=NC6=CC=CC=C6C(=O)N45)(C)C)O)C7=CC=CC=C72
PubChem ID 139591088
Drug Bank ID\N
ChemSpider ID62285717
TargetRNA-dependent RNA polymerase (RdRp)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of RNA-dependent RNA polymerase (RdRp)
Molecular Weight (in g/mol)472.49
H-bond Acceptor9
H-bond Donor2
No. of Rotatable Bonds0
LogP2.22
Topological Polar Surface Area (Å)113.76
PUBMED ID36907056
Referencehttps://pubmed.ncbi.nlm.nih.gov/36907056/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 8 of 28   [TOP]
Compound IDNVIC0023
Compound Structure
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InhibitorComp11265
SMILESCC1(C=CC2=CC3=C(C=C2O1)NC(=O)C34CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C
PubChem ID 139591449
Drug Bank ID\N
ChemSpider ID\N
TargetRNA-dependent RNA polymerase (RdRp)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of RNA-dependent RNA polymerase (RdRp)
Molecular Weight (in g/mol)447.53
H-bond Acceptor7
H-bond Donor2
No. of Rotatable Bonds0
LogP3.15
Topological Polar Surface Area (Å)87.74
PUBMED ID36907056
Referencehttps://pubmed.ncbi.nlm.nih.gov/36907056/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 9 of 28   [TOP]
Compound IDNVIC0025
Compound Structure
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InhibitorZHAWOC21026
SMILESCN(C(=O)COC1=CC=CC2=C1OC(C)(C)C2)C1=NC2=C(CCCC2)S1
PubChem ID 152138821
Drug Bank ID\N
ChemSpider ID\N
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeRealTime-Glo MT cell viability assay
Assay Descriptionvirus inhibition assay
Assay Source\N
Cell TyperNiV-EGFP, PGSA745-EFNB2
IC50 (nM)80.0
EC50 (in nM)0.0
Outcomeinhibition of RNA-dependent RNA polymerase (RdRp)
Molecular Weight (in g/mol)372.48
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bonds5
LogP3.78
Topological Polar Surface Area (Å)79.90
PUBMED ID34724816
Referencehttps://pubmed.ncbi.nlm.nih.gov/34724816/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 10 of 28   [TOP]
Compound IDNVIC0027
Compound Structure
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InhibitorComp10694
SMILESCC1CC23CC4C(C5(CC4(C[N+]2(C1)[O-])N(C3=O)C)C6=C(C7=C(C=C6)OC(CC7=O)(C)C)NC5=O)(C)C
PubChem ID 156583043
Drug Bank ID\N
ChemSpider ID32675150
TargetRNA-dependent RNA polymerase (RdRp)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of RNA-dependent RNA polymerase (RdRp)
Molecular Weight (in g/mol)493.59
H-bond Acceptor7
H-bond Donor1
No. of Rotatable Bonds0
LogP3.41
Topological Polar Surface Area (Å)105.14
PUBMED ID36907056
Referencehttps://pubmed.ncbi.nlm.nih.gov/36907056/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 11 of 28   [TOP]
Compound IDNVIC0030
Compound Structure
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InhibitorRosmariquinone
SMILESCC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O
PubChem ID 160142
Drug Bank ID\N
ChemSpider ID\N
TargetRNA-dependent RNA polymerase (RdRp)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of RNA-dependent RNA polymerase (RdRp)
Molecular Weight (in g/mol)282.38
H-bond Acceptor2
H-bond Donor0
No. of Rotatable Bonds1
LogP4.11
Topological Polar Surface Area (Å)34.14
PUBMED ID38048723
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10746367/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 12 of 28   [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 TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceGS-441524 (Nuc) were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)1500.0
OutcomeInhibition of transcription in NiV (Rec. M-Luc2AM)
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 - 13 of 28   [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 TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay SourceGS-441524 (Nuc) were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)2200.0
OutcomeInhibition of transcription in NiV (Rec. M-GFP2AM)
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 - 14 of 28   [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 - 15 of 28   [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 / cytotoxicity kit
Assay DescriptionNon-linear regression analysis
Assay SourceGS-441524 (Nuc) were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa and H358 cells
IC50 (nM)0.0
EC50 (in nM)830.0
OutcomeInhibition of replication in NiV (B-2004) or Inhibition of virus-induced CPE
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 - 16 of 28   [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 TypeNCI-H358 cells
IC50 (nM)0.0
EC50 (in nM)1120.0
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 IDanshu@imtech.res.in

                  
Record - 17 of 28   [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 - 18 of 28   [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 - 19 of 28   [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 DescriptionVisually assayed for CPE
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeNCI-H358 cells
IC50 (nM)0.0
EC50 (in nM)1530.0
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 - 20 of 28   [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 - 21 of 28   [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 TypeNCI-H358 cells
IC50 (nM)0.0
EC50 (in nM)1640.0
OutcomeInhibition of transcription in NiV-GFP2AM
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 - 22 of 28   [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 - 23 of 28   [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 - 24 of 28   [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 - 25 of 28   [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 - 26 of 28   [TOP]
Compound IDNVIC0095
Compound Structure
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InhibitorRSV604
SMILESC1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4F
PubChem ID 5279172
Drug Bank ID\N
ChemSpider ID4442963
TargetRNA-dependent RNA polymerase (RdRp)
Assay Type\N
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcome\N
Molecular Weight (in g/mol)388.40
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bonds5
LogP6.03
Topological Polar Surface Area (Å)82.59
PUBMED ID26029193
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC4428208/
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 27 of 28   [TOP]
Compound IDNVIC0106
Compound Structure
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InhibitorGS-441524
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N)N
PubChem ID 56832906
Drug Bank ID\N
ChemSpider ID28499861
TargetRNA-dependent RNA polymerase (RdRp)
Assay TypeReporter assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeHeLa and HEK293T/17 cell
IC50 (nM)0.0
EC50 (in nM)490.0
OutcomeInhibition of transcription in NiV (Rec. M-Luc2AM)
Molecular Weight (in g/mol)531.20
H-bond Acceptor10
H-bond Donor3
No. of Rotatable Bonds8
LogP-6.10
Topological Polar Surface Area (Å)330.26
PUBMED ID28262699
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
Curator Email IDanshu@imtech.res.in

                  
Record - 28 of 28   [TOP]
Compound IDNVIC0141
Compound Structure
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InhibitorNorov-29
SMILESNC1=NC=NN2C=CC=C12.[H][C@@]1(C)O[C@]([H])(COP(O)(O)=O)[C@@H](O)[C@H]1O
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
TargetRNA-dependent RNA polymerase (RdRp)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of RNA-dependent RNA polymerase (RdRp)
Molecular Weight (in g/mol)362.28
H-bond Acceptor11
H-bond Donor5
No. of Rotatable Bonds3
LogP-0.50
Topological Polar Surface Area (Å)182.47
PUBMED ID36205638
Referencehttps://pubmed.ncbi.nlm.nih.gov/36205638/
Curator Email IDbhupender.thakur855@gmail.com