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Record - 1 of 7   [TOP]
Inhibitor IDSARSCOV2-0038
Inhibitor NameAnagliptin
FormulaC19H25N7O2
SMILESCC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N
Inhibitor Structure
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PubChem ID 44513473
Drug Bank ID DB15323
ChemSpider ID 
Virus_Target3C-like proteinase (accession YP_009725301.1), PLpro
Virus Target ID
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeinhibit the SARS-CoV-2 proteases 3CLpro and PLpro
Molecular Weight383.46
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor6
H-bond Donor2
No. of Rotatable Bond Count6
XLogP-0.5
PSA115.4
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)Repurposing
Reference(s)https://chemrxiv.org/articles/Gliptin_Repurposing_for_COVID-19/12110760/1
DOI https://doi.org/10.26434/chemrxiv.12110760.v1
Curator NameAnkita
Curatorshukla.ankita39@gmail.com


Record - 2 of 7   [TOP]
Inhibitor IDSARSCOV2-0066
Inhibitor NameBisegliptin
FormulaC18H26FN3O3
SMILES[H][C@@]1(F)CN(C(=O)CNC23CCC(CC2)(CC3)C(=O)OCC)[C@@]([H])(C1)C#N
Inhibitor Structure
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PubChem ID 11688894
Drug Bank ID DB06127
ChemSpider ID 
Virus_Target3C-like proteinase (accession YP_009725301.1), PLpro
Virus Target ID
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeinhibit the SARS-CoV-2 proteases 3CLpro and PLpro
Molecular Weight351.42
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bond Count6
XLogP0.80
PSA82.43
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)Repurposing
Reference(s)https://chemrxiv.org/articles/Gliptin_Repurposing_for_COVID-19/12110760/1
DOI https://doi.org/10.26434/chemrxiv.12110760.v1
Curator NameAnkita
Curatorshukla.ankita39@gmail.com


Record - 3 of 7   [TOP]
Inhibitor IDSARSCOV2-0115
Inhibitor NameDenagliptin
FormulaC20H18F3N3O
SMILESC1[C@@H](CN([C@@H]1C#N)C(=O)[C@H](C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N)F
Inhibitor Structure
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PubChem ID 9887755
Drug Bank ID NA
ChemSpider ID 
Virus_Target3C-like proteinase (accession YP_009725301.1), PLpro
Virus Target ID
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeinhibit the SARS-CoV-2 proteases 3CLpro and PLpro
Molecular Weight373.38
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bond Count4
XLogP2.40
PSA70.12
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)Repurposing
Reference(s)https://chemrxiv.org/articles/Gliptin_Repurposing_for_COVID-19/12110760/1
DOI https://doi.org/10.26434/chemrxiv.12110760.v1
Curator NameAnkita
Curatorshukla.ankita39@gmail.com


Record - 4 of 7   [TOP]
Inhibitor IDSARSCOV2-0198
Inhibitor NameMelogliptin
FormulaC15H21FN6O
SMILESC1C[C@H](C[C@H]1CN2C=NC=N2)NCC(=O)N3C[C@H](C[C@H]3C#N)F
Inhibitor Structure
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PubChem ID 11623906
Drug Bank ID NA
ChemSpider ID 
Virus_Target3C-like proteinase (accession YP_009725301.1), PLpro
Virus Target ID
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeinhibit the SARS-CoV-2 proteases 3CLpro and PLpro
Molecular Weight320.37
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor5
H-bond Donor1
No. of Rotatable Bond Count5
XLogP-0.6
PSA86.84
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)Repurposing
Reference(s)https://chemrxiv.org/articles/Gliptin_Repurposing_for_COVID-19/12110760/1
DOI https://doi.org/10.26434/chemrxiv.12110760.v1
Curator NameAnkita
Curatorshukla.ankita39@gmail.com


Record - 5 of 7   [TOP]
Inhibitor IDSARSCOV2-0270
Inhibitor NameSaxagliptin
FormulaC18H25N3O2
SMILES[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2
Inhibitor Structure
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PubChem ID 11243969
Drug Bank ID DB06335
ChemSpider ID 
Virus_Target3C-like proteinase (accession YP_009725301.1), PLpro
Virus Target ID
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeinhibit the SARS-CoV-2 proteases 3CLpro and PLpro
Molecular Weight315.42
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor4
H-bond Donor2
No. of Rotatable Bond Count2
XLogP-0.0
PSA90.35
Bio Availabilitytrue
Lead Likenessfalse
New Inhibitor (NR) / Repurposed Drug (RD)Repurposing
Reference(s)https://chemrxiv.org/articles/Gliptin_Repurposing_for_COVID-19/12110760/1
DOI https://doi.org/10.26434/chemrxiv.12110760.v1
Curator NameAnkita
Curatorshukla.ankita39@gmail.com


Record - 6 of 7   [TOP]
Inhibitor IDSARSCOV2-0298
Inhibitor NameTrelagliptin
FormulaC18H20FN5O2
SMILESCN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=CC(F)=CC=C2C#N)C1=O
Inhibitor Structure
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PubChem ID 15983988
Drug Bank ID DB15323
ChemSpider ID 
Virus_Target3C-like proteinase (accession YP_009725301.1), PLpro
Virus Target ID
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeinhibit the SARS-CoV-2 proteases 3CLpro and PLpro
Molecular Weight357.39
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor5
H-bond Donor1
No. of Rotatable Bond Count3
XLogP1.30
PSA93.67
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)Repurposing
Reference(s)https://chemrxiv.org/articles/Gliptin_Repurposing_for_COVID-19/12110760/1
DOI https://doi.org/10.26434/chemrxiv.12110760.v1
Curator NameAnkita
Curatorshukla.ankita39@gmail.com


Record - 7 of 7   [TOP]
Inhibitor IDSARSCOV2-0310
Inhibitor NameVildagliptin
FormulaC17H25N3O2
SMILESOC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N
Inhibitor Structure
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PubChem ID 6918537
Drug Bank ID DB04876
ChemSpider ID 
Virus_Target3C-like proteinase (accession YP_009725301.1), PLpro
Virus Target ID
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeinhibit the SARS-CoV-2 proteases 3CLpro and PLpro
Molecular Weight303.41
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor4
H-bond Donor2
No. of Rotatable Bond Count3
XLogP-0.2
PSA76.36
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)Repurposing
Reference(s)https://chemrxiv.org/articles/Gliptin_Repurposing_for_COVID-19/12110760/1
DOI https://doi.org/10.26434/chemrxiv.12110760.v1
Curator NameAnkita
Curatorshukla.ankita39@gmail.com