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Inhibitor IDSARSCOV2-0090
Inhibitor Namecinanserin
FormulaC20H24N2OS
SMILESCN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2
Inhibitor Structure
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PubChem ID 5475158
Drug Bank ID NA
ChemSpider ID 
Virus_TargetN3, N1, 3C-like proteinase (accession YP_009725301.1)
Virus Target ID
Host Target
Host Target Id
GO CodeIDA
Cell line
In-vivo Testin vitro
Outcome
Molecular Weight340.49
IC50 (in uM)125 ?M
EC50 (in uM)
Kd(in nM)
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bond Count8
XLogP4.17
PSA32.34
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)New inhibitor
Reference(s)https://www.nature.com/articles/s41586-020-2223-y_reference.pdf
DOI  10.2174/187152609787847659
Curator NameAyush
Curatornishisharmacool14@gmail.com