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Compound IDNVIC0055
Compound Structure
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InhibitorThapsigargin
PubChem ID   446378
Drug Bank ID
ChemSpider ID23258517
SMILESCCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O
Molecular Weight650.762 g/mol
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
OutcomeHighly effective inhibition of henipavirus replication in vitro
IC50 (in nM)50
EC50 (in nM)
H-bond Acceptor12
H-bond Donor2
No. of Rotatable Bond Count17
XLogP5.10
PSA171.96
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature]20668647
CuratorKanikatuteja@gmail.com