You've described a complex organic molecule with a very specific chemical structure. Let's break down what it is and why it might be important for research:
**Understanding the Structure:**
* **[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]**: This part describes a large aromatic ring system.
* **phenyl**: This indicates a benzene ring (a six-membered ring of carbon atoms with alternating single and double bonds).
* **oxadiazol**: This is a five-membered heterocyclic ring containing oxygen and nitrogen atoms.
* **4-methylphenyl**: This is a benzene ring with a methyl group (CH3) attached to the fourth carbon position.
* **[2-[...]]phenyl]**: This indicates that the oxadiazole ring is attached to the benzene ring at the second carbon position.
* **-(1-pyrrolidinyl)methanone**: This describes a ketone group (C=O) attached to a pyrrolidine ring (a five-membered ring containing nitrogen).
**Putting it Together:**
The molecule is a complex aromatic compound with a central oxadiazole ring attached to a benzene ring and a ketone linked to a pyrrolidine ring. This structure suggests potential applications in various research areas.
**Potential Importance for Research:**
* **Pharmacology:** Compounds with this kind of structure often exhibit interesting biological activities. They might be:
* **Anti-inflammatory agents:** Oxadiazole derivatives have shown anti-inflammatory properties in previous studies.
* **Antibacterial agents:** Certain aromatic systems can act as antibacterial agents.
* **Anti-cancer agents:** The combination of aromatic rings and heterocycles is frequently associated with anticancer activity.
* **Materials Science:** The molecule's rigidity and potential for functionalization could make it useful in:
* **Organic electronics:** It could be used as a component in organic light-emitting diodes (OLEDs) or organic solar cells.
* **Polymers:** It could be incorporated into polymers to create materials with specific optical or electrical properties.
**Important Note:**
Without further context, it's impossible to definitively state the exact research area where this molecule is relevant. Its importance would depend on the specific application and the results of experimental studies.
**To get a clearer picture of its importance, you would need additional information such as:**
* **The context of its discovery or synthesis:** Was it designed for a specific purpose?
* **Experimental results:** What biological or material properties has it been shown to possess?
* **Existing research publications:** Are there any publications specifically mentioning this molecule and its potential applications?
Let me know if you have more details about this molecule. I'll be happy to provide further insights.
ID Source | ID |
---|---|
PubMed CID | 665852 |
CHEMBL ID | 1547125 |
CHEBI ID | 108181 |
Synonym |
---|
smr000047108 |
MLS000083186 |
CHEBI:108181 |
[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone |
STL060890 |
{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}(pyrrolidin-1-yl)methanone |
HMS2338O15 |
AKOS005640909 |
CHEMBL1547125 |
[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(1-pyrrolidinyl)methanone |
Q27186852 |
Class | Description |
---|---|
oxadiazole | |
ring assembly | Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved. |
[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, Beta-lactamase | Escherichia coli K-12 | Potency | 20.2208 | 0.0447 | 17.8581 | 100.0000 | AID485294; AID485341 |
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 25.1189 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 23.9341 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 9.2000 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 19.7347 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 3.5481 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
P53 | Homo sapiens (human) | Potency | 12.5893 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 2.9093 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 4.4668 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 15.8489 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID651635 | Viability Counterscreen for 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. |
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. |
[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] |