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Compound IDNVIC0016
Compound Structure
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InhibitorCHEMBL1613017
PubChem ID   235811
Drug Bank ID
ChemSpider ID205764
SMILESC1CN(CCN1C(=O)NC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C5=CC=CC=C5
Molecular Weight476.6
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)1500
H-bond Acceptor6
H-bond Donor2
No. of Rotatable Bond Count8
XLogP10.1
PSA64.68
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