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Compound IDNVIC0060
Compound Structure
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Inhibitor9-dioxo-8-azaspiro[4.4]nonan-8-yl)-3-methylphenyl]-2-methylphenyl]-8-azaspiro[4.4]nonane-7,9-dione
SMILESCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=O)CC4(C3=O)CCCC4)C)N5C(=O)CC6(C5=O)CCCC6
PubChem ID 328761
Drug Bank ID\N
ChemSpider ID291201
Targetattachment glycoprotein (Niv-G)
Assay Typevirtual screening, molecular docking and ADMET prediction
Assay DescriptionADME/Tox filter server
Assay SourceNCI diversity set-II
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)484.60
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bonds3
LogP5.40
Topological Polar Surface Area (Å)74.76
PUBMED ID\N
Referencehttps://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
Curator Email IDnishisharmacool14@gmail.com