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Compound IDNVIC0068
Compound Structure
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InhibitorMonensin
PubChem ID 441145
Drug Bank ID
ChemSpider ID 389937
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
Molecular Weight670.881 g/mol
TargetSodium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)12240
EC50 (in nM)
H-bond Acceptor11
H-bond Donor4
No. of Rotatable Bond Count10
XLogP3.36
PSA153.37
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com