6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine: inhibitor of SARS-CoV main protease; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 2801236 |
| CHEMBL ID | 213580 |
| CHEBI ID | 149857 |
| SCHEMBL ID | 18497223 |
| MeSH ID | M0502329 |
| Synonym |
|---|
| 2-(benzenesulfonyl)-6-methoxy-3-nitropyridine |
| smr000457308 |
| MLS000851065 |
| 6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine |
| CHEMBL213580 |
| SR-01000762247-2 , |
| sr-01000762247 |
| ksc-8-133 |
| KUC105320N |
| CHEBI:149857 |
| HMS2797K22 |
| REGID_FOR_CID_2801236 |
| 2-besyl-6-methoxy-3-nitro-pyridine |
| bdbm62229 |
| cid_2801236 |
| cyto2b3 |
| CCG-234147 |
| SCHEMBL18497223 |
| Role | Description |
|---|---|
| anticoronaviral agent | Any antiviral agent which inhibits the activity of coronaviruses. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| sulfonic acid derivative | |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 100.0000 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
| glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
| thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 0.3162 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
| WRN | Homo sapiens (human) | Potency | 29.3592 | 0.1683 | 31.2583 | 100.0000 | AID651768; AID720497 |
| phosphopantetheinyl transferase | Bacillus subtilis | Potency | 22.3872 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 25.9185 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
| TDP1 protein | Homo sapiens (human) | Potency | 1.1083 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| Microtubule-associated protein tau | Homo sapiens (human) | Potency | 6.3096 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
| thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 0.1000 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
| Smad3 | Homo sapiens (human) | Potency | 3.1623 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
| regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 17.7828 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
| nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 3.5481 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
| 67.9K protein | Vaccinia virus | Potency | 11.2202 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
| IDH1 | Homo sapiens (human) | Potency | 20.5962 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
| euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 11.2202 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
| vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 13.9158 | 0.3548 | 28.0659 | 89.1251 | AID504847; AID602199; AID602200; AID602201; AID602202 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 2.8184 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 16.3601 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 44.6684 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
| mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0398 | 16.7842 | 39.8107 | AID1454 |
| ras-related protein Rab-9A | Homo sapiens (human) | Potency | 6.3096 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
| serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 9.4662 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
| DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 14.1254 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
| urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 4.4668 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| plasminogen precursor | Mus musculus (house mouse) | Potency | 4.4668 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 4.4668 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 3.7619 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
| geminin | Homo sapiens (human) | Potency | 4.1095 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
| Vpr | Human immunodeficiency virus 1 | Potency | 5.6234 | 1.5849 | 19.6264 | 63.0957 | AID651644 |
| muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 10.0000 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
| neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 15.8489 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
| Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 1.9953 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
| Alpha-synuclein | Homo sapiens (human) | Potency | 35.4813 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
| TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 3.5481 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Sphingosine-1-phosphate receptor 4 | Homo sapiens (human) | IC50 (µMol) | 1.0570 | 0.0890 | 0.7015 | 2.0290 | AID1692; AID2332 |
| caspase recruitment domain family, member 15 | Homo sapiens (human) | IC50 (µMol) | 3.1490 | 0.6215 | 4.0504 | 6.6330 | AID651553 |
| sphingosine 1-phosphate receptor 1 | Homo sapiens (human) | IC50 (µMol) | 7.1950 | 1.4180 | 4.6494 | 8.7060 | AID1821 |
| receptor-interacting serine/threonine-protein kinase 2 isoform 1 | Homo sapiens (human) | IC50 (µMol) | 3.1490 | 0.6215 | 4.0504 | 6.6330 | AID651553 |
| Beta lactamase (plasmid) | Pseudomonas aeruginosa | IC50 (µMol) | 49.7420 | 0.7091 | 5.0549 | 7.7510 | AID651552 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| citrate synthase 2, partial | Saccharomyces cerevisiae (brewer's yeast) | EC50 (µMol) | 300.0000 | 1.0700 | 3.0778 | 5.7170 | AID488827 |
| LAP4 | Saccharomyces cerevisiae (brewer's yeast) | EC50 (µMol) | 22.4600 | 0.4500 | 8.3714 | 33.0000 | AID2745; AID488795 |
| RPL19A | Saccharomyces cerevisiae (brewer's yeast) | EC50 (µMol) | 35.4100 | 0.4200 | 5.5760 | 25.3600 | AID488808 |
| MEP2 | Saccharomyces cerevisiae (brewer's yeast) | EC50 (µMol) | 50.5200 | 1.2260 | 1.7367 | 2.7200 | AID488801 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| PAX8 | Homo sapiens (human) | AC50 | 8.1800 | 0.0488 | 5.4354 | 69.1700 | AID687027 |
| MSH | Drosophila melanogaster (fruit fly) | AC50 | 4.2700 | 0.2090 | 9.5788 | 48.6900 | AID743444 |
| FAD-linked sulfhydryl oxidase ALR | Homo sapiens (human) | AC50 | 0.5010 | 0.0050 | 3.2126 | 22.7870 | AID493248 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID269113 | Inhibition of SARS coronavirus main protease at 10 uM | 2006 | Journal of medicinal chemistry, Aug-24, Volume: 49, Issue:17 | Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 2 (33.33) | 29.6817 |
| 2010's | 3 (50.00) | 24.3611 |
| 2020's | 1 (16.67) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.41) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 6 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||