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Record - 1 of 12   [TOP]
Compound IDNVIC0002
Compound Structure
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InhibitorGS-5734
PubChem ID 121304016
Drug Bank ID
ChemSpider ID 58827832
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
Molecular Weight602.585 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeReporter assay
Assay DescriptionNon-linear regression fitting
Assay SourceGS-5734 were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa
OutcomeInhibition of transcription in NiV (Rec. M-Luc2AM)
IC50 (in nM)
EC50 (in nM)45
H-bond Acceptor10
H-bond Donor4
No. of Rotatable Bond Count14
XLogP2.10
PSA213.36
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
PubMed ID [Source Literature] 28262699
CuratorAnshu@imtech.res.in

                  
Record - 2 of 12   [TOP]
Compound IDNVIC0002
Compound Structure
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InhibitorGS-5734
PubChem ID 121304016
Drug Bank ID
ChemSpider ID 58827832
SMILESCCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C5
Molecular Weight602.585 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeReporter assay
Assay DescriptionNon-linear regression fitting
Assay SourceGS-5734 were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa
OutcomeInhibition of transcription in NiV (Rec. M-GFP2AM)
IC50 (in nM)
EC50 (in nM)29
H-bond Acceptor10
H-bond Donor4
No. of Rotatable Bond Count14
XLogP2.10
PSA213.36
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
PubMed ID [Source Literature] 28262699
CuratorPriyankapaul008@gmail.com

                  
Record - 3 of 12   [TOP]
Compound IDNVIC0003
Compound Structure
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InhibitorR1479
PubChem ID 457388
Drug Bank ID
ChemSpider ID 402579
SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
Molecular Weight284.232 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeCytopathic effect assay(CPE)
Assay DescriptionHigh-throughput screening
Assay Source Carbosynth US LLC, San Diego, CA, USA
Cell TypeHeLa
OutcomeChain termination, halt in replication
IC50 (in nM)
EC50 (in nM)13550
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-2.1
PSA140.97
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5648002/
PubMed ID [Source Literature] 28629988
CuratorKanikatuteja@gmail.com

                  
Record - 4 of 12   [TOP]
Compound IDNVIC0003
Compound Structure
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InhibitorR1479
PubChem ID 457388
Drug Bank ID
ChemSpider ID 402579
SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
Molecular Weight284.232 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeREPORTER ASSAYS
Assay DescriptionDose-response curve analysis
Assay Source Carbosynth US LLC, San Diego, CA, USA
Cell TypeHeLa
OutcomeInhibition of transcription in NiV-Luc2AM
IC50 (in nM)
EC50 (in nM)5680
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-2.1
PSA140.97
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5648002/
PubMed ID [Source Literature] 28629988
CuratorPriyankapaul008@gmail.com

                  
Record - 5 of 12   [TOP]
Compound IDNVIC0003
Compound Structure
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InhibitorR1479
PubChem ID 457388
Drug Bank ID
ChemSpider ID 402579
SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
Molecular Weight284.232 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeVirus titer reduction
Assay DescriptionVisually assayed for CPE
Assay Source Carbosynth US LLC, San Diego, CA, USA
Cell TypeHeLa
OutcomeReplication inhibition in wild type Niv-M
IC50 (in nM)
EC50 (in nM)4000
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-2.1
PSA140.97
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5648002/
PubMed ID [Source Literature] 28629988
CuratorPriyankapaul008@gmail.com

                  
Record - 6 of 12   [TOP]
Compound IDNVIC0005
Compound Structure
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InhibitorEthyl 4-[3-(2,4-dichlorobenzylcarbamoyl)-1-ethyl-6
PubChem ID 44191025
Drug Bank ID
ChemSpider ID 24627369
SMILESCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCC)F)C(=O)NCC4=C(C=C(C=C4)Cl)Cl
Molecular Weight549.424 g/mol
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia (average number of nuclei in syncytia) was determined in the microscope
Assay SourceHttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeHeLa
OutcomeInhibit NiV-induced virus-cell and cell?cell fusion
IC50 (in nM)
EC50 (in nM)4000
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bond Count9
XLogP4.74
PSA82.19
Reference(s)Https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
CuratorAnshu@imtech.res.in

                  
Record - 7 of 12   [TOP]
Compound IDNVIC0019
Compound Structure
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InhibitorRibavirin
PubChem ID 37542
Drug Bank ID
ChemSpider ID 34439
SMILESC1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
Molecular Weight244.207 g/mol
Target
Assay TypeDose–response assays
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeHeLa
OutcomeEffectively reduce the spread and infection of NiV
IC50 (in nM)4180
EC50 (in nM)
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-3.0
PSA143.72
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2888097/
PubMed ID [Source Literature] 19889926
CuratorNishisharmacool14@gmail.com

                  
Record - 8 of 12   [TOP]
Compound IDNVIC0027
Compound Structure
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InhibitorBortezomib
PubChem ID 387447
Drug Bank ID
ChemSpider ID 343402
SMILESB(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
Molecular Weight384.243 g/mol
Target NiV matrix protein
Assay TypeDose-response assay
Assay DescriptionVirus Titre Reduction assay
Assay Source
Cell TypeHeLa
OutcomeAbolition of matrix-mediated virus budding
IC50 (in nM)2.7
EC50 (in nM)
H-bond Acceptor6
H-bond Donor4
No. of Rotatable Bond Count11
XLogP3.23
PSA124.44
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2978725/
PubMed ID [Source Literature] 21085610
CuratorKanikatuteja@gmail.com

                  
Record - 9 of 12   [TOP]
Compound IDNVIC0028
Compound Structure
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InhibitorMG132
PubChem ID 462382
Drug Bank ID
ChemSpider ID 406728
SMILESCC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1
Molecular Weight475.63 g/mol
Target NiV matrix protein
Assay TypeDose-response assay
Assay DescriptionVirus Titre Reduction assay
Assay Source
Cell TypeHeLa
OutcomeRestriction of Matrix protein to the nucleus
IC50 (in nM)0.47
EC50 (in nM)
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bond Count18
XLogP6.81
PSA113.60
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2978725/
PubMed ID [Source Literature] 21085610
CuratorKanikatuteja@gmail.com

                  
Record - 10 of 12   [TOP]
Compound IDNVIC0048
Compound Structure
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InhibitorChloroquine
PubChem ID 2719
Drug Bank ID
ChemSpider ID 2618
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Molecular Weight319.877 g/mol
Target
Assay TypeDose–response assays
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeHeLa
OutcomeEffectively reduce the spread and infection of NiV
IC50 (in nM)620
EC50 (in nM)
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bond Count8
XLogP4.14
PSA28.16
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2888097/
PubMed ID [Source Literature] 19889926
CuratorNishisharmacool14@gmail.com

                  
Record - 11 of 12   [TOP]
Compound IDNVIC0098
Compound Structure
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InhibitorGS-441524-Nuc
PubChem ID 44468216
Drug Bank ID
ChemSpider ID 28499294
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)N
Molecular Weight291.267 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeReporter assay
Assay DescriptionFluorescence or luminescence
Assay SourceNuc were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa
OutcomeInhibition of replication in NiV (Rec. M-GFP2AM)
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor5
H-bond Donor4
No. of Rotatable Bond Count2
XLogP-2.0
PSA149.92
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
PubMed ID [Source Literature] 28262699
CuratorPriyankapaul008@gmail.com

                  
Record - 12 of 12   [TOP]
Compound IDNVIC0098
Compound Structure
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InhibitorGS-441524-Nuc
PubChem ID 44468216
Drug Bank ID
ChemSpider ID 28499294
SMILESC1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)CO)O)O)C#N)N
Molecular Weight291.267 g/mol
TargetRNA dependent RNA Polymerase
Assay TypeReporter assay
Assay DescriptionFluorescence or luminescence
Assay SourceNuc were synthesized at Gilead Sciences, Inc.
Cell TypeHeLa
OutcomeInhibition of replication in NiV (Rec. M-Luc2AM)
IC50 (in nM)
EC50 (in nM)490
H-bond Acceptor5
H-bond Donor4
No. of Rotatable Bond Count2
XLogP-2.0
PSA149.92
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338263/
PubMed ID [Source Literature] 28262699
CuratorPriyankapaul008@gmail.com