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Compound IDNVIC0081
Compound Structure
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InhibitorCaffeine
PubChem ID 2519
Drug Bank ID
ChemSpider ID 2424
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C
Molecular Weight (in g/mol)194.194 g/mol
Targetrelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Sourcestreptomyces conglobatus,
Cell TypeVero cells
Outcomeinhibited henipavirus replication
IC50 (in nM)7562710
EC50 (in nM)
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bond Count0
XLogP-0.6
PSA58.44
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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