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Compound IDNVIC0072
Compound Structure
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InhibitorMonensin
SMILESCCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C
PubChem ID 441145
Drug Bank ID\N
ChemSpider ID389937
TargetSodium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)12240.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)670.88
H-bond Acceptor11
H-bond Donor4
No. of Rotatable Bonds10
LogP3.36
Topological Polar Surface Area (Å)153.37
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com