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Compound IDNVIC0014
Compound Structure
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InhibitorA23187
SMILESCC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
PubChem ID 11957499
Drug Bank ID\N
ChemSpider ID10131749
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA)
Cell TypeVero cells
IC50 (nM)70.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)523.63
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bonds7
LogP4.48
Topological Polar Surface Area (Å)126.68
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com