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Compound IDNVIC0009
Compound Structure
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InhibitorCHEMBL551697
PubChem ID   44190928
Drug Bank ID
ChemSpider ID24618766
SMILESCCN1C=C(C(=O)C2=C1C=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)Cl
Molecular Weight408.805 g/mol
TargetProtein cavity in the NiV-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 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