1-(1,3-benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea is a chemical compound that has been investigated for its potential medicinal properties, particularly as a **kinase inhibitor**.
Here's a breakdown:
**1. Chemical Structure:**
* **1,3-benzodioxol-5-yl:** This part of the molecule is a substituted benzene ring with a five-membered ring containing two oxygen atoms.
* **3-pyridinylmethyl:** This part is a substituted pyridine ring attached to a methylene group (CH2).
* **Urea:** The urea group (-NH-CO-NH-) connects the two aforementioned parts.
**2. Biological Activity:**
The compound is known to exhibit **kinase inhibitory activity**. Kinases are enzymes that play crucial roles in cellular signaling pathways by transferring phosphate groups to other molecules. This process is essential for many cellular functions, and abnormal kinase activity is implicated in various diseases, including cancer.
**3. Research Significance:**
* **Cancer Treatment:** The kinase inhibitory activity of 1-(1,3-benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea makes it a potential candidate for the development of anticancer drugs.
* **Other Therapeutic Applications:** Research suggests that the compound may also be effective in treating other conditions, such as inflammatory diseases and neurological disorders, due to its influence on various signaling pathways.
**4. Research Focus:**
Current research on this compound focuses on:
* **Target identification:** Identifying the specific kinases that are inhibited by the compound.
* **Mechanism of action:** Understanding how the compound interacts with the target kinases to inhibit their activity.
* **Drug development:** Optimizing the compound's properties for improved efficacy, safety, and bioavailability to develop a potential drug candidate.
**Overall, 1-(1,3-benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea is an interesting chemical compound with potential therapeutic applications, particularly in the field of cancer treatment. Further research is ongoing to explore its full potential.**
ID Source | ID |
---|---|
PubMed CID | 971608 |
CHEMBL ID | 1452616 |
CHEBI ID | 112402 |
Synonym |
---|
n-1,3-benzodioxol-5-yl-n'-(3-pyridinylmethyl)urea |
MLS000671940 |
smr000294448 |
STK458025 |
1-(1,3-benzodioxol-5-yl)-3-(pyridin-3-ylmethyl)urea |
CHEBI:112402 |
AKOS003346049 |
HMS2675J23 |
CHEMBL1452616 |
1-(1,3-benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea |
Q27192506 |
SR-01000278729-1 |
sr-01000278729 |
n-(1,3-benzodioxol-5-yl)-n'-(3-pyridylmethyl)urea |
Class | Description |
---|---|
benzodioxoles | |
[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 | 37.9330 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 26.0904 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 79.4328 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 25.1189 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
geminin | Homo sapiens (human) | Potency | 0.5174 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
[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. |
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 | |||
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. |
[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] |