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Compound IDNVIC0011
Compound Structure
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InhibitorZINC1019934
PubChem ID   1784648
Drug Bank ID
ChemSpider ID1402075
SMILESCC1CN(CC(O1)C)C2=NC(=O)C(=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)S2
Molecular Weight484.581
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 Acceptor6
H-bond Donor0
No. of Rotatable Bond Count4
XLogP6.63
PSA97.64
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