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Compound IDNVIC0083
Compound Structure
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InhibitorNifedipine
SMILESCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
PubChem ID 4485
Drug Bank ID\N
ChemSpider ID4330
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)245440.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)346.34
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds6
LogP3.91
Topological Polar Surface Area (Å)107.77
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com