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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