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Compound IDNVIC0132
Compound Structure
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InhibitorG5
SMILESCC1=CC=C(NC(=O)N[C@@H](C(=O)N2CCC3=C2C=CC=C3)C2=CC=CC=C2)C=C1
PubChem ID 92881596
Drug Bank ID\N
ChemSpider ID23022263
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)385.46
H-bond Acceptor5
H-bond Donor2
No. of Rotatable Bonds7
LogP4.98
Topological Polar Surface Area (Å)61.44
PUBMED ID33450550
Referencehttps://pubmed.ncbi.nlm.nih.gov/33450550/
Curator Email IDbhupender.thakur855@gmail.com