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Compound IDNVIC0056
Compound Structure
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InhibitorXestospongin C
PubChem ID 9846431
Drug Bank ID
ChemSpider ID 4470979
SMILESC1CCCC2CCN3CCCC(C3O2)CCCCCCC4CCN5CCCC(C5O4)CC1
Molecular Weight446.72 g/mol
TargetInhibitor of IP3 mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
OutcomeInhibited virus replication
IC50 (in nM)7010
EC50 (in nM)
H-bond Acceptor4
H-bond Donor0
No. of Rotatable Bond Count0
XLogP7.08
PSA24.94
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com