1-(2,6-dimethylphenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]thiourea is a **small molecule compound**, sometimes referred to as **compound A**. It's not a well-known or widely studied compound, and there's limited information available about its specific properties and potential applications.
Here's a breakdown of what we can deduce from its chemical name:
* **Thiourea** is a functional group containing a sulfur atom and two nitrogen atoms. This group often exhibits biological activity.
* **Pyrrolidinyl** refers to a five-membered ring structure containing a nitrogen atom. This is a common structural motif found in many pharmaceuticals.
* **4-methoxyphenyl** suggests a benzene ring substituted with a methoxy group. This group is also frequently found in drug molecules.
* **2,6-dimethylphenyl** indicates a benzene ring with two methyl groups at the 2 and 6 positions. This structure could influence the compound's properties, such as its solubility or interactions with biological targets.
**Based on this information, it's likely that compound A could have potential as a pharmacological agent, perhaps acting as a: **
* **Ligand** for a specific receptor or enzyme
* **Modulator** of a cellular pathway
* **Inhibitor** of a particular biological process
**However, without specific research data, it's impossible to pinpoint its exact biological activity or its importance for research.**
**To understand its significance, we would need more information:**
* **Research publications:** Are there any studies investigating the compound's properties, biological activity, or potential applications?
* **Patents:** Are there any patents related to compound A or its synthesis?
* **Clinical trials:** Is the compound currently being evaluated for its therapeutic potential in human trials?
**If you can provide more context, such as the source of the information or the research area it relates to, it might be possible to give a more specific and helpful answer.**
| ID Source | ID |
|---|---|
| PubMed CID | 4226016 |
| CHEMBL ID | 1584579 |
| CHEBI ID | 115568 |
| Synonym |
|---|
| n-(2,6-dimethylphenyl)-n'-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}thiourea |
| smr000311666 |
| MLS000683509 , |
| CHEBI:115568 |
| AKOS001594615 |
| 1-(2,6-dimethylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea |
| HMS2758N07 |
| AKOS021661405 |
| CHEMBL1584579 |
| cid_4226016 |
| bdbm59007 |
| 1-(2,6-dimethylphenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]thiourea |
| 1-(2,6-dimethylphenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}thiourea |
| Q27197688 |
| Class | Description |
|---|---|
| pyrrolidines | Any of a class of heterocyclic amines having a saturated five-membered 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) |
|---|---|---|---|---|---|---|---|
| Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 8.9125 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
| Chain A, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 22.3872 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
| Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 15.8114 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
| Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 39.8107 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
| glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 32.6294 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
| TDP1 protein | Homo sapiens (human) | Potency | 24.5192 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| Microtubule-associated protein tau | Homo sapiens (human) | Potency | 12.5893 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
| 67.9K protein | Vaccinia virus | Potency | 0.3162 | 0.0001 | 8.4406 | 100.0000 | AID720579 |
| bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 39.8107 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
| euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 0.5623 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
| serine-protein kinase ATM isoform a | Homo sapiens (human) | Potency | 17.7828 | 0.7079 | 25.1119 | 41.2351 | AID485349 |
| lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 15.8489 | 0.0366 | 19.6376 | 50.1187 | AID2100 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 19.9526 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 1.2995 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 12.5893 | 0.0398 | 16.7842 | 39.8107 | AID1454 |
| serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 23.7781 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 1.5650 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
| [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) |
|---|---|---|---|---|---|---|---|
| large T antigen | Betapolyomavirus macacae | IC50 (µMol) | 14.6500 | 0.1600 | 24.9724 | 100.0000 | AID1903 |
| [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) |
|---|---|---|---|---|---|---|---|
| large T antigen | Betapolyomavirus macacae | EC50 (µMol) | 45.7800 | 0.1000 | 35.4896 | 50.0000 | AID2102 |
| [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. |
| 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 | |||
| 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 | |||
| [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] | ||