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Record - 1 of 9   [TOP]
Inhibitor IDSARSCOV2-0010
Inhibitor NameL-667639
FormulaC34H28N6O6S2
SMILESCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)O)N)C)N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)O)N
Inhibitor Structure
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PubChem ID 428775
Drug Bank ID 
ChemSpider ID 
Virus_Targetnsp10/16
Virus Target IDYP_009555254.1
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeaffect viral replication & cap formation
Molecular Weight680.75
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor12
H-bond Donor4
No. of Rotatable Bond Count7
XLogP6.96
PSA210.2
Bio Availabilityfalse
Lead Likenessfalse
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/PROTEIN-NUCLEIC_ACID_INTERFACE_PNAI_INHIBITOR_DRUG_MOLECULES_FOR_SARS-COV-2/12026736
DOI http://doi.org/10.26434/chemrxiv.12026736.v1
Curator Namesanjeevani
Curatorshukla.ankita39@gmail.com


Record - 2 of 9   [TOP]
Inhibitor IDSARSCOV2-0011
Inhibitor Name3,3'-(Biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid)
FormulaC32H24N6O6S2
SMILESC1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N)S(=O)(=O)O
Inhibitor Structure
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PubChem ID 11314
Drug Bank ID 
ChemSpider ID 
Virus_Targetnsp10/16
Virus Target IDYP_009555254.1
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeaffect viral replication & cap formation
Molecular Weight652.70
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor12
H-bond Donor4
No. of Rotatable Bond Count7
XLogP3.57
PSA210.2
Bio Availabilityfalse
Lead Likenessfalse
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/PROTEIN-NUCLEIC_ACID_INTERFACE_PNAI_INHIBITOR_DRUG_MOLECULES_FOR_SARS-COV-2/12026736
DOI http://doi.org/10.26434/chemrxiv.12026736.v1
Curator Namesanjeevani
Curatorshukla.ankita39@gmail.com


Record - 3 of 9   [TOP]
Inhibitor IDSARSCOV2-0012
Inhibitor NameAurintricarboxylic acid
FormulaC22H14O9
SMILESC1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O
Inhibitor Structure
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PubChem ID 2259
Drug Bank ID 
ChemSpider ID 
Virus_Targetnsp10/16
Virus Target IDYP_009555254.1
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeaffect viral replication & cap formation
Molecular Weight422.35
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor9
H-bond Donor5
No. of Rotatable Bond Count5
XLogP4.05
PSA169.4
Bio Availabilitytrue
Lead Likenessfalse
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/PROTEIN-NUCLEIC_ACID_INTERFACE_PNAI_INHIBITOR_DRUG_MOLECULES_FOR_SARS-COV-2/12026736
DOI http://doi.org/10.26434/chemrxiv.12026736.v1
Curator Namesanjeevani
Curatorshukla.ankita39@gmail.com


Record - 4 of 9   [TOP]
Inhibitor IDSARSCOV2-0013
Inhibitor NameChrysamine G
FormulaC26H18N4O6
SMILESC1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O)N=NC4=CC(=C(C=C4)O)C(=O)O
Inhibitor Structure
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PubChem ID 160843
Drug Bank ID 
ChemSpider ID 
Virus_Targetnsp10/16
Virus Target IDYP_009555254.1
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeaffect viral replication & cap formation
Molecular Weight482.45
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor10
H-bond Donor4
No. of Rotatable Bond Count7
XLogP8.44
PSA164.5
Bio Availabilitytrue
Lead Likenessfalse
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/PROTEIN-NUCLEIC_ACID_INTERFACE_PNAI_INHIBITOR_DRUG_MOLECULES_FOR_SARS-COV-2/12026736
DOI http://doi.org/10.26434/chemrxiv.12026736.v1
Curator Namesanjeevani
Curatorshukla.ankita39@gmail.com


Record - 5 of 9   [TOP]
Inhibitor IDSARSCOV2-0014
Inhibitor NameDirect blue 6
FormulaC32H20N6Na4O14S4
SMILESC1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+]
Inhibitor Structure
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PubChem ID 17449
Drug Bank ID 
ChemSpider ID 
Virus_Targetnsp10/16
Virus Target IDYP_009555254.1
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeaffect viral replication & cap formation
Molecular Weight932.74
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor20
H-bond Donor4
No. of Rotatable Bond Count9
XLogP0.05
PSA370.7
Bio Availabilityfalse
Lead Likenessfalse
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/PROTEIN-NUCLEIC_ACID_INTERFACE_PNAI_INHIBITOR_DRUG_MOLECULES_FOR_SARS-COV-2/12026736
DOI http://doi.org/10.26434/chemrxiv.12026736.v1
Curator Namesanjeevani
Curatorshukla.ankita39@gmail.com


Record - 6 of 9   [TOP]
Inhibitor IDSARSCOV2-0015
Inhibitor Name5,5'-Methylenedisalicylic acid
FormulaC15H12O6
SMILESC1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
Inhibitor Structure
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PubChem ID 67145
Drug Bank ID 
ChemSpider ID 
Virus_Targetnsp10/16
Virus Target IDYP_009555254.1
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeaffect viral replication & cap formation
Molecular Weight288.26
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor6
H-bond Donor4
No. of Rotatable Bond Count4
XLogP4.07
PSA115.0
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/PROTEIN-NUCLEIC_ACID_INTERFACE_PNAI_INHIBITOR_DRUG_MOLECULES_FOR_SARS-COV-2/12026736
DOI http://doi.org/10.26434/chemrxiv.12026736.v1
Curator Namesanjeevani
Curatorshukla.ankita39@gmail.com


Record - 7 of 9   [TOP]
Inhibitor IDSARSCOV2-0016
Inhibitor Name3,3'-methylenebis(6-[(3-nitrobenzoyl)amino]benzoic acid)
FormulaC29H20N4O10
SMILESO=C(NC3=C(C=C(CC2=CC(=C(NC(=O)C1=CC(=CC=C1)[N](=O)=O)C=C2)C(=O)O)C=C3)C(=O)O)C4=CC(=CC=C4)[N](=O)=O
Inhibitor Structure
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PubChem ID 349765978
Drug Bank ID 
ChemSpider ID 
Virus_Targetnsp10/16
Virus Target IDYP_009555254.1
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeaffect viral replication & cap formation
Molecular Weight584.50
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor10
H-bond Donor4
No. of Rotatable Bond Count10
XLogP6.74
PSA224.4
Bio Availabilityfalse
Lead Likenessfalse
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/PROTEIN-NUCLEIC_ACID_INTERFACE_PNAI_INHIBITOR_DRUG_MOLECULES_FOR_SARS-COV-2/12026736
DOI http://doi.org/10.26434/chemrxiv.12026736.v1
Curator Namesanjeevani
Curatorshukla.ankita39@gmail.com


Record - 8 of 9   [TOP]
Inhibitor IDSARSCOV2-0017
Inhibitor NameDTXSID30714542
FormulaC33H21Cu2N7NaO13S3
SMILESCC1=N[N+](=C(C1=NN(C)C2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C5=C(C=C4)C(=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])[O-])[O-])C6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Cu+2].[Cu+2]
Inhibitor Structure
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PubChem ID 138395300
Drug Bank ID 
ChemSpider ID 
Virus_Targetnsp10/16
Virus Target IDYP_009555254.1
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeaffect viral replication & cap formation
Molecular Weight969.83
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor19
H-bond Donor1
No. of Rotatable Bond Count9
XLogP0.19
PSA345.5
Bio Availabilityfalse
Lead Likenessfalse
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/PROTEIN-NUCLEIC_ACID_INTERFACE_PNAI_INHIBITOR_DRUG_MOLECULES_FOR_SARS-COV-2/12026736
DOI http://doi.org/10.26434/chemrxiv.12026736.v1
Curator Namesanjeevani
Curatorshukla.ankita39@gmail.com


Record - 9 of 9   [TOP]
Inhibitor IDSARSCOV2-0018
Inhibitor NameNSC65828
FormulaC22H17N3O4S
SMILESC1=CC(=CC=C1C2=CC=C(C=C2)O)N=NC3=C4C=CC(=CC4=C(C=C3)N)S(=O)(=O)O
Inhibitor Structure
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PubChem ID 414983
Drug Bank ID 
ChemSpider ID 
Virus_Targetnsp10/16
Virus Target IDYP_009555254.1
Host Target
Host Target Id
GO Code
Cell line
In-vivo Testin silico
Outcomeaffect viral replication & cap formation
Molecular Weight419.46
IC50 (in uM)
EC50 (in uM)
Kd(in nM)
H-bond Acceptor7
H-bond Donor3
No. of Rotatable Bond Count4
XLogP4.77
PSA125.3
Bio Availabilitytrue
Lead Likenesstrue
New Inhibitor (NR) / Repurposed Drug (RD)
Reference(s)https://chemrxiv.org/articles/PROTEIN-NUCLEIC_ACID_INTERFACE_PNAI_INHIBITOR_DRUG_MOLECULES_FOR_SARS-COV-2/12026736
DOI http://doi.org/10.26434/chemrxiv.12026736.v1
Curator Namesanjeevani
Curatorshukla.ankita39@gmail.com