The compound you provided, **1-(3,4-dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone**, is a complex organic molecule with a rather lengthy chemical name.
**Understanding its Structure and Importance:**
* **Structure:** The compound is a heterocyclic molecule with a central 1,2,4-triazole ring.
* It features a 3-pyridinyl group and a furanylmethyl group attached to the triazole ring.
* A thioether linkage (S) connects the triazole ring to a ketone group.
* Finally, a 3,4-dichlorophenyl group is attached to the ketone.
* **Importance in Research:** The specific importance of this compound depends on the research context. However, its structure suggests potential applications in areas like:
* **Medicinal Chemistry:** Triazole-containing compounds often possess biological activity. This molecule might be investigated for its potential as a:
* **Antimicrobial agent:** Triazoles are known for their antifungal properties.
* **Anti-inflammatory agent:** Heterocycles like this can interact with inflammatory pathways.
* **Other therapeutic uses:** The combination of the triazole ring and the aromatic groups could lead to interesting biological effects.
* **Material Science:** The presence of heteroatoms and the rigid structure of the molecule could lead to interesting properties for:
* **Polymers:** The compound could be used as a monomer to create novel polymers with specific properties.
* **Sensors:** The compound's potential to interact with different substances could be exploited in sensor development.
**To definitively determine its importance, you would need more context:**
* **What specific research question is being addressed?**
* **What are the experimental results or observations related to this compound?**
* **Is this compound a novel synthesis or a known compound with new applications?**
Without more information, it's difficult to provide a precise answer.
ID Source | ID |
---|---|
PubMed CID | 662667 |
CHEMBL ID | 1534864 |
CHEBI ID | 114858 |
SCHEMBL ID | 4148366 |
Synonym |
---|
smr000043346 |
MLS000041394 |
CHEBI:114858 |
MLS002583435 |
1-(3,4-dichlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone |
HMS2405G03 |
AKOS022137051 |
STL340210 |
1-(3,4-dichlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}ethanone |
SCHEMBL4148366 |
CHEMBL1534864 |
1-(3,4-dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone |
Q27196554 |
Class | Description |
---|---|
aromatic ketone | A ketone in which the carbonyl group is attached to an aromatic 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, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 79.4328 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 35.4813 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 44.6684 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 28.1838 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
TDP1 protein | Homo sapiens (human) | Potency | 11.8905 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 14.1254 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 22.3872 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 31.6228 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 31.6228 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 19.9526 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 89.1251 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 50.1187 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
serine-protein kinase ATM isoform a | Homo sapiens (human) | Potency | 3.5481 | 0.7079 | 25.1119 | 41.2351 | AID485349 |
DNA polymerase beta | Homo sapiens (human) | Potency | 31.6228 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 84.9214 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 22.3872 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
lethal factor (plasmid) | Bacillus anthracis str. A2012 | Potency | 10.0000 | 0.0200 | 10.7869 | 31.6228 | AID912 |
Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | Potency | 15.8489 | 0.3162 | 12.7657 | 31.6228 | AID881 |
Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 15.8489 | 0.0063 | 8.2350 | 39.8107 | AID881 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
iron ion binding | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
calcium ion binding | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
protein binding | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
lipid binding | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
linoleate 13S-lipoxygenase activity | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
arachidonate 8(S)-lipoxygenase activity | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
arachidonate 15-lipoxygenase activity | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
linoleate 9S-lipoxygenase activity | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
nucleus | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
cytosol | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
cytoskeleton | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
plasma membrane | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
adherens junction | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
focal adhesion | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
membrane | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
extracellular exosome | Polyunsaturated fatty acid lipoxygenase ALOX15B | 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 | |||
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. |
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 | |||
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. |
[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] |