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Record - 1 of 2   [TOP]
Compound IDNVIC0003
Compound Structure
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InhibitorR1479
PubChem ID 457388
Drug Bank ID
ChemSpider ID 402579
SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
Molecular Weight (in g/mol)284.232
TargetRNA dependent RNA Polymerase
Assay TypeVirus titer reduction assay
Assay DescriptionVisually assayed for CPE
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeHeLa
OutcomeReplication inhibition in wild type NiV
IC50 (in nM)
EC50 (in nM)4000
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-2.1
PSA140.97
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5648002/
PubMed ID [Source Literature] 28629988
Curatorpriyankapaul008@gmail.com

                  
Record - 2 of 2   [TOP]
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