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Inhibitor IDSARSCOV2-0107
Inhibitor NameDaclatasvir
FormulaC40H50N8O6
SMILESCOC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
Inhibitor Structure
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PubChem ID 25154714
Drug Bank ID DB09102
ChemSpider ID 
Virus_Target3'-to-5' exonuclease (accession YP_009725309.1)
Virus Target IDYP_009725309.1
Host Target
Host Target Id
GO CodeRCA
Cell line
In-vivo TestIn silico
Outcome
Molecular Weight738.89
IC50 (in uM)
EC50 (in uM)
Kd(in nM)110.47
H-bond Acceptor6
H-bond Donor4
No. of Rotatable Bond Count13
XLogP4.18
PSA174.6
Bio Availabilityfalse
Lead Likenessfalse
New Inhibitor (NR) / Repurposed Drug (RD)RD
Reference(s)https://www.biorxiv.org/content/10.1101/2020.01.31.929547v1
DOI 10.1101/2020.01.31.929547
Curator Namesanjeevani
Curatorsanjeevani123marcha@gmail.com