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Compound IDNVIC0004
Compound Structure
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Inhibitor1-acetyl-17-[3-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
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
PubChem ID 1037027
Drug Bank ID\N
ChemSpider ID891395
Targetattachment glycoprotein (Niv-G)
Assay Typevirtual screening, molecular docking and ADMET prediction
Assay DescriptionADME/Tox filter server
Assay SourceZINC database
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)461.44
H-bond Acceptor7
H-bond Donor0
No. of Rotatable Bonds3
LogP7.66
Topological Polar Surface Area (Å)54.45
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