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Compound IDNVIC0054
Compound Structure
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InhibitorRyanodine
PubChem ID 11317883
Drug Bank ID
ChemSpider ID 16736002
SMILESCC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O
Molecular Weight493.553 g/mol
TargetStimulates calcium release from the ER via ryanodine receptors.
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)65710
EC50 (in nM)
H-bond Acceptor10
H-bond Donor7
No. of Rotatable Bond Count4
XLogP0.16
PSA168.94
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com