Page last updated: 2024-12-09

[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(1-pyrrolidinyl)methanone

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

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.

Cross-References

ID SourceID
PubMed CID665852
CHEMBL ID1547125
CHEBI ID108181

Synonyms (11)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
oxadiazole
ring assemblyTwo 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 Targets (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency20.22080.044717.8581100.0000AID485294; AID485341
Chain A, CruzipainTrypanosoma cruziPotency25.11890.002014.677939.8107AID1476
LuciferasePhotinus pyralis (common eastern firefly)Potency23.93410.007215.758889.3584AID588342
ATAD5 protein, partialHomo sapiens (human)Potency9.20000.004110.890331.5287AID504466; AID504467
TDP1 proteinHomo sapiens (human)Potency19.73470.000811.382244.6684AID686978; AID686979
thioredoxin glutathione reductaseSchistosoma mansoniPotency3.54810.100022.9075100.0000AID485364
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.81070.011212.4002100.0000AID1030
P53Homo sapiens (human)Potency12.58930.07319.685831.6228AID504706
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency2.90930.00419.984825.9290AID504444
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency4.46680.00798.23321,122.0200AID2551
lamin isoform A-delta10Homo sapiens (human)Potency15.84890.891312.067628.1838AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay 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]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]