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Compound IDNVIC0053
Compound Structure
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InhibitorIonomycin
PubChem ID   6912226
Drug Bank ID
ChemSpider ID5288579
SMILESCC(CCC(=O)O)CC(C)CC(C)C(=O)C=C(C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O)O
Molecular Weight709.018 g/mol
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)5190
EC50 (in nM)
H-bond Acceptor9
H-bond Donor5
No. of Rotatable Bond Count22
XLogP7.69
PSA153.75
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature]20668647
CuratorKanikatuteja@gmail.com