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Compound IDNVIC0032
Compound Structure
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InhibitorCA1001[(-)-(r,r)-N,N?-bis[11-(ethoxycarbonyl)undecyl]-n,n?-4,5-tetramethyl-3,6-dioxaoctanediamide]
SMILESCCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
PubChem ID 163688476
Drug Bank ID\N
ChemSpider ID2343275
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
IC50 (nM)348990.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)684.99
H-bond Acceptor10
H-bond Donor0
No. of Rotatable Bonds37
LogP8.92
Topological Polar Surface Area (Å)111.68
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com