| ID Source | ID |
|---|---|
| PubMed CID | 3723106 |
| CHEMBL ID | 1416543 |
| CHEBI ID | 105709 |
| Synonym |
|---|
| MLS000589513 |
| 2-(3-oxo-3-thiophen-2-yl-1-o-tolyl-propyl)-malononitrile |
| smr000212888 |
| CHEBI:105709 |
| AKOS005463077 |
| 2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile |
| HMS2548J24 |
| [1-(2-methylphenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile |
| STK530431 |
| CHEMBL1416543 |
| Q27183469 |
| Class | Description |
|---|---|
| aromatic ketone | A ketone in which the carbonyl group is attached to an aromatic ring. |
| [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) |
|---|---|---|---|---|---|---|---|
| Luciferase | Photinus pyralis (common eastern firefly) | Potency | 26.8545 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
| Nrf2 | Homo sapiens (human) | Potency | 3.1623 | 0.0920 | 8.2222 | 23.1093 | AID624171 |
| glp-1 receptor, partial | Homo sapiens (human) | Potency | 19.9526 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
| thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 10.0000 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
| TDP1 protein | Homo sapiens (human) | Potency | 13.0816 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| Microtubule-associated protein tau | Homo sapiens (human) | Potency | 25.1189 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
| thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 3.1623 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
| Smad3 | Homo sapiens (human) | Potency | 19.9526 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 7.0795 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 50.1187 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
| 67.9K protein | Vaccinia virus | Potency | 22.9833 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
| P53 | Homo sapiens (human) | Potency | 35.4813 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
| vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 50.1187 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 56.2341 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 8.9125 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 1.5849 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
| geminin | Homo sapiens (human) | Potency | 9.3613 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
| DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | Potency | 14.1254 | 0.0580 | 10.6949 | 26.6086 | AID602310 |
| lamin isoform A-delta10 | Homo sapiens (human) | Potency | 25.1189 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
| neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 10.0000 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
| Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 11.2202 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
| TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 17.7828 | 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) |
|---|---|---|---|---|---|---|---|
| recombinase A | Mycobacterium tuberculosis H37Rv | EC50 (µMol) | 1.6760 | 0.0180 | 23.2882 | 287.6000 | AID434968; AID435010 |
| [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) |
|---|---|---|---|---|---|---|---|
| replicative DNA helicase | Mycobacterium tuberculosis H37Rv | AC50 | 193.2630 | 0.0570 | 30.7482 | 325.3000 | AID449749; AID449750 |
| [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. |
| 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. |
| 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. |
| AID651635 | Viability Counterscreen for 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. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| [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 (20.00) | 29.6817 |
| 2010's | 3 (60.00) | 24.3611 |
| 2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||