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Inhibitor IDSARSCOV2-0040
Inhibitor Nameanisotine
FormulaC20H19N3O3
SMILESCNC1=C(C=C(C=C1)C2CCN3C2=NC4=CC=CC=C4C3=O)C(=O)OC
Inhibitor Structure
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PubChem ID 442884
Drug Bank ID 
ChemSpider ID 
Virus_Target3C-like proteinase (accession YP_009725301.1)
Virus Target ID
Host Target
Host Target Id
GO Code
Cell line
In-vivo Test
Outcome
Molecular Weight349.39
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bond Count4
XLogP3.03
PSA71.00
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/Treatment_of_COVID-19_patients______Justicia_adhatoda_leaves_extract_is_a_strong_remedy_for_COVID-19_Case_report_analysis_and_docking_based_study/12038604/1
DOI 
Curator NamePriyanka
Curatorshukla.ankita39@gmail.com