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Compound IDNVIC0080
Compound Structure
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InhibitorThapsigargin
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
PubChem ID 446378
Drug Bank ID\N
ChemSpider ID23258517
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
IC50 (nM)50.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)650.76
H-bond Acceptor12
H-bond Donor2
No. of Rotatable Bonds17
LogP5.10
Topological Polar Surface Area (Å)171.96
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com