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Compound IDNVIC0002
Compound Structure
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InhibitorCepharanthine
SMILESCN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
PubChem ID 10206
Drug Bank IDDB16824
ChemSpider ID9791
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)606.71
H-bond Acceptor8
H-bond Donor0
No. of Rotatable Bonds2
LogP6.75
Topological Polar Surface Area (Å)61.86
PUBMED ID36808582
Referencehttps://pubmed.ncbi.nlm.nih.gov/36808582/
Curator Email IDbhupender.thakur855@gmail.com