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Record - 1 of 3   [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 - 2 of 3   [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 - 3 of 3   [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