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Compound IDNVIC0080
Compound Structure
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InhibitorBradykinin
PubChem ID 439201
Drug Bank ID
ChemSpider ID 388341
SMILESC1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O
Molecular Weight (in g/mol)1060.22
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)34070
EC50 (in nM)
H-bond Acceptor26
H-bond Donor14
No. of Rotatable Bond Count37
XLogP0.1
PSA413.78
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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