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Record - 1 of 2   [TOP]
Compound IDNVIC0076
Compound Structure
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InhibitorEthyl 4-[3-(2,4-dichlorobenzylcarbamoyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-7-yl)]piperazine-1-carboxylate
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
PubChem ID 44191025
Drug Bank ID\N
ChemSpider ID24627369
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)4000.0
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
Molecular Weight (in g/mol)549.42
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bonds9
LogP4.74
Topological Polar Surface Area (Å)82.19
PUBMED ID19499921
Referencehttps://pubs.acs.org/doi/full/10.1021/jm900411s
Curator Email IDanshu@imtech.res.in

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0086
Compound Structure
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InhibitorR1479
SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
PubChem ID 457388
Drug Bank ID\N
ChemSpider ID402579
TargetRNA-dependent RNA polymerase (RdRp)
Assay Typevirus titer reduction
Assay DescriptionVisually assayed for CPE
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeHeLa cells
IC50 (nM)0.0
EC50 (in nM)4000.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)284.23
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bonds3
LogP-2.10
Topological Polar Surface Area (Å)140.97
PUBMED ID28629988
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5648002/
Curator Email IDpriyankapaul008@gmail.com