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Compound IDNVIC0051
Compound Structure
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InhibitorCA1001[(-)-(r,r)-N,N?-bis[11-(ethoxycarbonyl)undec
PubChem ID 163688476
Drug Bank ID
ChemSpider ID 2343275
SMILESCCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
Molecular Weight (in g/mol)684.987
TargetCalcium ionophore
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)348990
EC50 (in nM)
H-bond Acceptor10
H-bond Donor0
No. of Rotatable Bond Count37
XLogP8.92
PSA111.68
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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