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Compound IDNVIC0051
Compound Structure
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InhibitorCaffeine
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C
PubChem ID 2519
Drug Bank ID\N
ChemSpider ID2424
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
IC50 (nM)7562710.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)194.19
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bonds0
LogP-0.60
Topological Polar Surface Area (Å)58.44
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com