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Inhibitor IDSARSCOV2-0130
Inhibitor NameElbasvir
FormulaC49H55N9O7
SMILES[H][C@]1(CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C1=NC=C(N1)C1=CC2=C(C=C1)N1[C@@H](OC3=C(C=CC(=C3)C3=CN=C(N3)[C@]3([H])CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C1=C2)C1=CC=CC=C1
Inhibitor Structure
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PubChem ID 71661251
Drug Bank ID DB11574
ChemSpider ID 
Virus_TargetNSP12 RNA Polymerase (NP_001012452.1), PLpro, nCoV-SP, Helicase (accession YP_009725308.1)
Virus Target ID
Host TargetACE-2 receptor (Q9BYF1)
Host Target Id
GO Code
Cell line
In-vivo Testin silico
OutcomeHigh affinity for the four virus proteins
Molecular Weight882.04
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count13
XLogP6.14
PSA188.8
Bio Availabilityfalse
Lead Likenessfalse
New Inhibitor (NR) / Repurposed Drug (RD)RD
Reference(s)https://chemrxiv.org/articles/Computational_Target-Based_Drug_Repurposing_of_Elbasvir_an_Antiviral_Drug_Predicted_to_Bind_Multiple_SARS-CoV-2_Proteins/12084822/2
DOI https://doi.org/10.26434/chemrxiv.12084822.v2
Curator NameAyush
Curatorshukla.ankita39@gmail.com