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Compound IDNVIC0017
Compound Structure
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InhibitorZINC1568793
PubChem ID   328761
Drug Bank ID
ChemSpider ID291201
SMILESCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=O)CC4(C3=O)CCCC4)C)N5C(=O)CC6(C5=O)CCCC6
Molecular Weight484.6
TargetNiV-G glycoprotein
Assay TypeVirtual screening by Auto dock Vina
Assay DescriptionADME/Tox filter server
Assay Source NCI diversity set-II
Cell Type
OutcomePotential to treat NiV encephalitis
IC50 (in nM)
EC50 (in nM)830
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bond Count3
XLogP5.40
PSA74.76
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