| ID Source | ID |
|---|---|
| PubMed CID | 854591 |
| CHEMBL ID | 1497581 |
| CHEBI ID | 105333 |
| Synonym |
|---|
| ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate |
| smr000065855 |
| MLS000055045 , |
| CHEBI:105333 |
| HMS2496E07 |
| AKOS024326461 |
| CHEMBL1497581 |
| cid_854591 |
| ethyl 5-[2-(3-methyl-6-oxidanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]furan-2-carboxylate |
| 5-[2-(6-hydroxy-3-methyl-2-benzofuranyl)-2-oxoethyl]-2-furancarboxylic acid ethyl ester |
| bdbm83480 |
| 5-[2-(6-hydroxy-3-methyl-benzofuran-2-yl)-2-keto-ethyl]furan-2-carboxylic acid ethyl ester |
| Q27183055 |
| ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]-2-furoate |
| Z56788924 |
| STL512968 |
| Class | Description |
|---|---|
| benzofurans | |
| [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 | 0.6310 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
| Chain A, HADH2 protein | Homo sapiens (human) | Potency | 35.7168 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
| Chain B, HADH2 protein | Homo sapiens (human) | Potency | 35.7168 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
| Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 56.2341 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
| Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 28.1838 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
| thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 31.3540 | 0.1000 | 20.8793 | 79.4328 | AID588453; AID588456 |
| ClpP | Bacillus subtilis | Potency | 31.6228 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
| 15-lipoxygenase, partial | Homo sapiens (human) | Potency | 19.9526 | 0.0126 | 10.6917 | 88.5700 | AID887 |
| phosphopantetheinyl transferase | Bacillus subtilis | Potency | 39.8107 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
| Microtubule-associated protein tau | Homo sapiens (human) | Potency | 15.8489 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
| thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 28.1838 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
| Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 12.5893 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 10.0000 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
| nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 11.2202 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
| bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 79.4328 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
| euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 25.1189 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 28.1838 | 0.0018 | 15.6638 | 39.8107 | AID894 |
| importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 40.8707 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
| snurportin-1 | Homo sapiens (human) | Potency | 40.8707 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
| peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 67.4555 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
| GTP-binding nuclear protein Ran isoform 1 | Homo sapiens (human) | Potency | 31.6228 | 5.8048 | 16.9962 | 25.9290 | AID540253 |
| geminin | Homo sapiens (human) | Potency | 0.3264 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
| Vpr | Human immunodeficiency virus 1 | Potency | 1.5849 | 1.5849 | 19.6264 | 63.0957 | AID651644 |
| caspase-1 isoform alpha precursor | Homo sapiens (human) | Potency | 25.1189 | 0.0003 | 11.4484 | 31.6228 | AID900 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | Potency | 25.1189 | 0.3162 | 12.7657 | 31.6228 | AID881 |
| Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 25.1189 | 0.0063 | 8.2350 | 39.8107 | AID881 |
| Caspase-7 | Homo sapiens (human) | Potency | 25.1189 | 3.9811 | 18.5856 | 31.6228 | AID889 |
| [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) |
|---|---|---|---|---|---|---|---|
| [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) |
|---|---|---|---|---|---|---|---|
| endoribonuclease toxin MazF | Escherichia coli str. K-12 substr. MG1655 | EC50 (µMol) | 90.1000 | 3.9600 | 9.5157 | 17.4000 | AID588481; AID588502 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| 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. |
| 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. |
| 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. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| 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 | |||
| AID1411950 | Inhibition of Mycobacterium tuberculosis ICL1 expressed in Escherichia coli BL21(DE3) at 100 uM using DL-isocitrate as substrate incubated for 25 mins in presence of MgCl2 by 1H NMR method | 2017 | MedChemComm, Nov-01, Volume: 8, Issue:11 | Development of NMR and thermal shift assays for the evaluation of |
| AID1411953 | Binding affinity to Mycobacterium tuberculosis ICL1 expressed in Escherichia coli BL21(DE3) assessed as increase in melting temperature at 1 mM in presence of MgCl2 by SYPRO orange dye based fluorescence assay | 2017 | MedChemComm, Nov-01, Volume: 8, Issue:11 | Development of NMR and thermal shift assays for the evaluation of |
| AID1411949 | Inhibition of Mycobacterium tuberculosis ICL1 expressed in Escherichia coli BL21(DE3) using DL-isocitrate as substrate incubated for 25 mins in presence of MgCl2 by 1H NMR method | 2017 | MedChemComm, Nov-01, Volume: 8, Issue:11 | Development of NMR and thermal shift assays for the evaluation of |
| [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 | 1 (16.67) | 29.6817 |
| 2010's | 4 (66.67) | 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 (12.35) 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] | ||