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Inhibitor IDSARSCOV2-0235
Inhibitor NamePicotamide
FormulaC21H20N4O3
SMILESCOC1=CC=C(C=C1C(=O)NCC1=CC=CN=C1)C(=O)NCC1=CC=CN=C1
Inhibitor Structure
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PubChem ID 4814
Drug Bank ID DB13327
ChemSpider ID 
Virus_TargetPLpro
Virus Target ID
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeantiviral activity against SARS-CoV-2
Molecular Weight376.42
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor5
H-bond Donor2
No. of Rotatable Bond Count7
XLogP0.98
PSA93.21
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)RD
Reference(s)https://chemrxiv.org/articles/In_silico_Drug_Repurposing_for_COVID-19_Targeting_SARS-CoV-2_Proteins_through_Docking_and_Quantum_Mechanical_Scoring/12110199/1
DOI https://doi.org/10.26434/chemrxiv.12110199.v1
Curator Namesanjeevani
Curatorshukla.ankita39@gmail.com