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Compound IDNVIC0012
Compound Structure
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InhibitorZINC707572
PubChem ID   1037027
Drug Bank ID
ChemSpider ID891395
SMILESCC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC(=C6)C(F)(F)F
Molecular Weight461.439
TargetNiV-G glycoprotein
Assay TypeVirtual screening by Auto dock Vina
Assay DescriptionADME/Tox filter server
Assay SourceZINC database
Cell Type
OutcomePotential to treat NiV encephalitis
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor7
H-bond Donor0
No. of Rotatable Bond Count3
XLogP7.66
PSA54.45
Reference(s)Https://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
PubMed ID [Source Literature]
CuratorNishisharmacool14@gmail.com