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Record - 1 of 7   [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 Weight (in g/mol)549.424
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
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 - 2 of 7   [TOP]
Compound IDNVIC0006
Compound Structure
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InhibitorEthyl 1-[3-(2,4-Dichlorobenzylcarbamoyl)-1-ethyl-6
PubChem ID 44191024
Drug Bank ID
ChemSpider ID 24624033
SMILESCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)C(=O)OCC)F)C(=O)NCC4=C(C=C(C=C4)Cl)Cl
Molecular Weight (in g/mol)548.436
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)3000
H-bond Acceptor10
H-bond Donor1
No. of Rotatable Bond Count9
XLogP5.38
PSA78.95
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatoranshu@imtech.res.in

                  
Record - 3 of 7   [TOP]
Compound IDNVIC0007
Compound Structure
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InhibitorEthyl 4-[1-cyclopropyl-3-(2,4-dichlorobenzylcarbam
PubChem ID 44191117
Drug Bank ID
ChemSpider ID 24618777
SMILESCCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=C(C=C(C=C4)Cl)Cl)C5CC5)F
Molecular Weight (in g/mol)561.435
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)3000
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bond Count9
XLogP4.86
PSA82.19
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatoranshu@imtech.res.in

                  
Record - 4 of 7   [TOP]
Compound IDNVIC0008
Compound Structure
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Inhibitor7-(4-Carbamoylpiperidin-1-yl)-1-cyclopropyl-N-(2,4
PubChem ID 44191023
Drug Bank ID
ChemSpider ID 24623404
SMILESC1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)C(=O)N)F)C(=O)NCC5=C(C=C(C=C5)Cl)Cl
Molecular Weight (in g/mol)531.409
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)1500
H-bond Acceptor10
H-bond Donor2
No. of Rotatable Bond Count7
XLogP4.02
PSA95.74
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatoranshu@imtech.res.in

                  
Record - 5 of 7   [TOP]
Compound IDNVIC0009
Compound Structure
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InhibitorN-(Cyclopropylmethyl)-1-ethyl-6-fluoro-4-oxo-1,4-
PubChem ID 44190928
Drug Bank ID
ChemSpider ID 24618766
SMILESCCN1C=C(C(=O)C2=C1C=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)Cl
Molecular Weight (in g/mol)408.805
TargetNiV-F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)8000
H-bond Acceptor8
H-bond Donor1
No. of Rotatable Bond Count6
XLogP6.18
PSA49.41
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatorkanikatuteja@gmail.com

                  
Record - 6 of 7   [TOP]
Compound IDNVIC0010.1
Compound Structure
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Inhibitor4-oxo-1,4-Dihydroquinoline-3,5-dicarboxylic Acid
PubChem ID 91619677
Drug Bank ID
ChemSpider ID 62941102
SMILESC1=CC(=C2C(=C1)NC=C(C2=O)C(=O)O)C(=O)O
Molecular Weight (in g/mol)233.179
TargetNiV-F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)8000
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count2
XLogP1.46
PSA103.70
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatorkanikatuteja@gmail.com

                  
Record - 7 of 7   [TOP]
Compound IDNVIC0010.2
Compound Structure
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Inhibitor4-oxo-1,4-Dihydroquinoline-3,7-dicarboxylic Acid
PubChem ID 328523
Drug Bank ID
ChemSpider ID 290967
SMILESC1=CC2=C(C=C1C(=O)O)NC=C(C2=O)C(=O)O
Molecular Weight (in g/mol)233.179
TargetNiV-F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)8000
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count2
XLogP1.46
PSA103.70
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatorkanikatuteja@gmail.com