1-[[(4-chloroanilino)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide is a **complex organic molecule** with a chemical structure that incorporates various functional groups.
**Its importance in research stems from its potential as a drug candidate.** This molecule has shown promising activity in preclinical studies as a **potent and selective inhibitor of certain enzymes.** However, the exact mechanism of action and its therapeutic applications are still under investigation.
**Here's a breakdown of its structure and potential applications:**
* **Structure:** The molecule consists of a cyclohexane ring with a carboxamide group attached. This carboxamide group is further linked to a morpholine ring via an amine group. A 4-chloroanilino group is connected to the carboxamide via an imine bond.
* **Enzyme Inhibition:** This molecule's structure suggests it could potentially bind to and inhibit certain enzymes. This inhibition could have therapeutic effects depending on the target enzyme. For example, it could be used to treat diseases related to:
* **Inflammation:** Inhibition of certain inflammatory enzymes.
* **Neurological Disorders:** Inhibition of enzymes involved in neurotransmission.
* **Cancer:** Inhibition of enzymes involved in cancer cell growth and proliferation.
* **Preclinical Studies:** While the molecule shows promise, it's crucial to understand that preclinical studies are just the initial step in drug development. Further research is needed to:
* **Determine the specific target enzymes.**
* **Evaluate its efficacy and safety in animal models.**
* **Develop a suitable formulation for human trials.**
**In summary:** 1-[[(4-chloroanilino)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide is a complex molecule with potential therapeutic applications. Its importance lies in its ability to inhibit certain enzymes, potentially leading to treatments for various diseases. However, further research is necessary to fully understand its therapeutic potential and safety.
| ID Source | ID |
|---|---|
| PubMed CID | 646224 |
| CHEMBL ID | 1722892 |
| CHEBI ID | 105581 |
| Synonym |
|---|
| 1-[3-(4-chloro-phenyl)-ureido]-cyclohexanecarboxylic acid (3-morpholin-4-yl-propyl)-amide |
| smr000000443 |
| MLS000029975 , |
| CHEBI:105581 |
| 1-[(4-chlorophenyl)carbamoylamino]-n-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide |
| HMS2327M15 |
| CHEMBL1722892 |
| Q27183332 |
| 1-[[(4-chloroanilino)-oxomethyl]amino]-n-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide |
| sr-01000346237 |
| SR-01000346237-1 |
| Class | Description |
|---|---|
| N-acyl-amino acid | A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid. |
| [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) |
|---|---|---|---|---|---|---|---|
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.2859 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 44.6684 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
| geminin | Homo sapiens (human) | Potency | 0.0046 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
| Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 12.5893 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| 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. |
| 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. |
| 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. |
| [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] | ||