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Compound IDNVIC0026
Compound Structure
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InhibitorFD012
SMILESOC(=O)C1=C(Cl)C=CC(=C1)C1=CC=C(O1)C=C1/SC(=S)N(CCC2=CC=C(OCC3CC3)C=C2)C1=O
PubChem ID 155669302
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)70.0
EC50 (in nM)0.0
Outcomeinhibition of class I viral fusion protein
Molecular Weight (in g/mol)540.05
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds9
LogP6.47
Topological Polar Surface Area (Å)137.37
PUBMED ID35336896
Referencehttps://pubmed.ncbi.nlm.nih.gov/35336896/
Curator Email IDbhupender.thakur855@gmail.com