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Compound IDNVIC0029
Compound Structure
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InhibitorA23187
PubChem ID   40486
Drug Bank ID
ChemSpider ID10131749
SMILESCC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
Molecular Weight523.63 g/mol
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeHighly effective inhibition of henipavirus replication in vitro
IC50 (in nM)70
EC50 (in nM)
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bond Count7
XLogP4.48
PSA126.68
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature]20668647
CuratorKanikatuteja@gmail.com