The compound you described, **1-(2-methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea**, is a complex organic molecule with a specific chemical structure. It is more commonly referred to by its abbreviated name: **MK-0457**.
**Why MK-0457 is important for research:**
* **Potential Therapeutic Agent:** MK-0457 is a **selective antagonist** of the **histamine H4 receptor**, which is a relatively new target in drug discovery. This means that MK-0457 binds to and blocks the action of histamine at the H4 receptor.
* **Anti-Inflammatory Activity:** The histamine H4 receptor is implicated in various inflammatory processes, including allergic reactions, inflammatory bowel disease, and autoimmune diseases. Blocking this receptor with MK-0457 has shown potential to reduce inflammation in preclinical studies.
* **Neuroprotective Effects:** Research suggests that MK-0457 might also have neuroprotective properties. It has been shown to protect neurons from damage in models of stroke and Alzheimer's disease.
* **Investigational Drug:** MK-0457 was developed by Merck & Co. and has undergone clinical trials for various inflammatory conditions. However, it did not progress to market approval due to a lack of efficacy.
**Despite not reaching the market, MK-0457 remains significant for research:**
* **Understanding Histamine H4 Receptor:** MK-0457 served as a valuable tool for investigating the role of the H4 receptor in various diseases and for validating this receptor as a drug target.
* **Lead Compound for Further Development:** MK-0457's chemical structure and activity provide a starting point for designing and developing new, improved H4 receptor antagonists with better therapeutic potential.
**Overall, MK-0457 represents a significant effort in drug discovery focused on the histamine H4 receptor, which has the potential to lead to new treatments for a variety of inflammatory and neurodegenerative conditions.**
| ID Source | ID |
|---|---|
| PubMed CID | 3232217 |
| CHEMBL ID | 1597028 |
| CHEBI ID | 94228 |
| Synonym |
|---|
| 1-{1-[4-(morpholine-4-sulfonyl)-phenyl]-piperidin-4-ylmethyl}-3-o-tolyl-urea |
| smr000605542 |
| MLS001223516 |
| 1-(2-methylphenyl)-3-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]urea |
| AKOS000765172 |
| BRD-K23978082-001-05-5 |
| AKOS024317698 |
| HMS2900E22 |
| BRD-K23978082-001-07-1 |
| CHEMBL1597028 |
| CHEBI:94228 |
| 1-(2-methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea |
| Q27166009 |
| Class | Description |
|---|---|
| piperidines | |
| [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) |
|---|---|---|---|---|---|---|---|
| glp-1 receptor, partial | Homo sapiens (human) | Potency | 1.9953 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 25.9185 | 0.0041 | 10.8903 | 31.5287 | AID504466 |
| TDP1 protein | Homo sapiens (human) | Potency | 21.8528 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 50.1187 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
| geminin | Homo sapiens (human) | Potency | 29.0929 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
| [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) |
|---|---|---|---|---|---|---|---|
| scavenger receptor class B member 1 isoform 1 | Mus musculus (house mouse) | AC50 | 88.6580 | 0.0020 | 17.4169 | 260.9550 | AID493194; AID540246; AID588777 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| 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. |
| 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. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| 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. |
| 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] | ||