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Compound IDNVIC0111
Compound Structure
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InhibitorAmlodipine besylate
SMILESCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
PubChem ID 60496
Drug Bank ID\N
ChemSpider ID54537
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)643530.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)567.05
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds10
LogP3.24
Topological Polar Surface Area (Å)99.88
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com