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Compound IDNVIC0044
Compound Structure
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InhibitorFD001
SMILESC1=CC=C(C=C1)CCN2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)SC2=S
PubChem ID 2277040
Drug Bank ID\N
ChemSpider ID\N
Targetclass I viral fusion protein
Assay TypeCytotoxicity, pseudo virus infection inhibition
Assay DescriptionLuciferase activity
Assay SourceAmerican Type Culture Collection (ATCC)
Cell TypeU87
IC50 (nM)410.0
EC50 (in nM)0.0
Outcomeinhibition of class I viral fusion protein
Molecular Weight (in g/mol)469.96
H-bond Acceptor5
H-bond Donor1
No. of Rotatable Bonds6
LogP5.68
Topological Polar Surface Area (Å)128.14
PUBMED ID35336896
Referencehttps://pubmed.ncbi.nlm.nih.gov/35336896/
Curator Email IDbhupender.thakur855@gmail.com