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Compound IDNVIC0096
Compound Structure
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InhibitorCyclosporine
SMILESCCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
PubChem ID 5280754
Drug Bank ID\N
ChemSpider ID4447449
TargetSERCA
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)12640.0
EC50 (in nM)0.0
OutcomeRemoval of cytosolic calcium
Molecular Weight (in g/mol)1202.64
H-bond Acceptor23
H-bond Donor5
No. of Rotatable Bonds15
LogP8.40
Topological Polar Surface Area (Å)278.80
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com