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Compound IDNVIC0071
Compound Structure
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InhibitorCyclosporine
PubChem ID 5280754
Drug Bank ID
ChemSpider ID 4447449
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
Molecular Weight (in g/mol)1202.63
TargetActivates of SERCA
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeRemoval of cytosolic calcium
IC50 (in nM)12640
EC50 (in nM)
H-bond Acceptor23
H-bond Donor5
No. of Rotatable Bond Count15
XLogP8.4
PSA278.80
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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