**[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furanyl)methanone** is a complex organic molecule with the following structural features:
* **Triazole ring:** A five-membered ring containing three nitrogen atoms.
* **Phenyl ring:** A six-membered ring containing alternating single and double bonds.
* **Furanyl ring:** A five-membered ring containing one oxygen atom.
* **Methylthio group (CH3S):** A sulfur atom linked to a methyl group.
**Importance in Research:**
This molecule has been investigated for its potential biological activities, particularly as a **fungicide**.
Here's why it is important for research:
* **Anti-fungal activity:** Triazole-based compounds are known for their fungicidal properties. The specific arrangement of substituents on the triazole ring in this molecule could contribute to its effectiveness against specific fungal species.
* **Crop protection:** Fungi can cause significant damage to crops, leading to yield losses. Research into new fungicides like this molecule is crucial for developing sustainable agricultural practices.
* **Drug discovery:** Triazoles are also used in the synthesis of various pharmaceuticals. Understanding the structure-activity relationships of compounds like this could pave the way for developing new drugs for treating fungal infections.
* **Chemical synthesis:** The synthesis of this molecule itself is a complex chemical process, which can provide valuable insights into organic chemistry reactions and synthetic methodologies.
**Note:** It's important to mention that this specific molecule might not have been extensively studied or patented, and there might be other, more widely known triazole-based fungicides with similar structures and applications.
**To fully understand the importance of this molecule, further research would be required to:**
* Determine its specific activity against different fungal species.
* Investigate its mechanism of action.
* Evaluate its environmental impact and potential toxicity.
* Explore its potential applications beyond crop protection.
Overall, [3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furanyl)methanone represents a potential lead compound for the development of new fungicides and other bioactive molecules. It provides a starting point for further research and exploration in the fields of agriculture, medicine, and organic chemistry.
ID Source | ID |
---|---|
PubMed CID | 828535 |
CHEMBL ID | 1492668 |
CHEBI ID | 115571 |
Synonym |
---|
[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(furan-2-yl)methanone |
MLS000527911 , |
smr000120485 |
[3-(4-chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazol-1-yl]-furan-2-yl-methanone |
CHEBI:115571 |
AKOS000641728 |
HMS2174P15 |
CHEMBL1492668 |
[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furyl)methanone |
cid_828535 |
[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furanyl)methanone |
bdbm33642 |
Q27197711 |
Class | Description |
---|---|
triazoles | An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. |
[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, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 7.0795 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 1.4125 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 16.7958 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 6.3096 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
DNA polymerase beta | Homo sapiens (human) | Potency | 1.1220 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
histone-lysine N-methyltransferase 2A isoform 2 precursor | Homo sapiens (human) | Potency | 17.7828 | 0.0103 | 23.8567 | 63.0957 | AID2662 |
[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) |
---|---|---|---|---|---|---|---|
prothrombin | Homo sapiens (human) | IC50 (µMol) | 2.3124 | 0.0010 | 3.3170 | 14.6895 | AID1215 |
tyrosine-protein phosphatase non-receptor type 22 isoform 1 | Homo sapiens (human) | IC50 (µMol) | 79.4000 | 0.4800 | 2.6449 | 8.3270 | AID435024; AID435027 |
tyrosine-protein phosphatase non-receptor type 7 isoform 2 | Homo sapiens (human) | IC50 (µMol) | 79.4000 | 0.1000 | 12.7265 | 63.0000 | AID435032 |
[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) | 380.0000 | 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 | 190.1937 | 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. |
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. |
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. |
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. |
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 | |||
AID1745845 | 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] |