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Record - 1 of 2   [TOP]
Compound IDNVIC0075
Compound Structure
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InhibitorEthyl 1-[3-(2,4-Dichlorobenzylcarbamoyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-7-yl]piperidine-4-carboxylate
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
PubChem ID 44191024
Drug Bank ID\N
ChemSpider ID24624033
Targetfusion glycoprotein (NiV-F)
Assay TypeCell-cell fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)3000.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)548.44
H-bond Acceptor10
H-bond Donor1
No. of Rotatable Bonds9
LogP5.38
Topological Polar Surface Area (Å)78.95
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDanshu@imtech.res.in

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0077
Compound Structure
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InhibitorEthyl 4-[1-cyclopropyl-3-(2,4-dichlorobenzylcarbamoyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-7-yl)]piperazine-1-carboxylate
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
PubChem ID 44191117
Drug Bank ID\N
ChemSpider ID24618777
Targetfusion glycoprotein (NiV-F)
Assay TypeCell-cell fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
IC50 (nM)0.0
EC50 (in nM)3000.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)561.44
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bonds9
LogP4.86
Topological Polar Surface Area (Å)82.19
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDanshu@imtech.res.in