Page last updated: 2024-12-09

1-[(3-chlorophenyl)methyl]-3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-2-pyridinone

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

You're asking about a compound with the rather complex name: **1-[(3-chlorophenyl)methyl]-3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-2-pyridinone**. While I can't give you specific details on its importance in research, I can break down the structure and provide information on why compounds like this are generally of interest.

**Breaking Down the Name:**

* **1-[(3-chlorophenyl)methyl]-:** This part indicates a 3-chlorophenyl group (a benzene ring with a chlorine atom at the 3rd position) attached to a methylene group (CH2) which is then connected to the first position of the next part of the molecule.
* **3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-:** This part is a bit more complex. It refers to a 1,3,4-oxadiazole ring (a five-membered ring containing an oxygen, nitrogen, and two carbon atoms) with a methylthio group (CH3S) attached to the 5th position and the whole oxadiazole ring attached to the 3rd position of the next part of the molecule.
* **2-pyridinone:** This part is a pyridinone ring, which is a six-membered ring containing a nitrogen atom and a carbonyl group (C=O). The '2' indicates the carbonyl group is at the 2nd position of the ring.

**Why Compounds Like This Are Important:**

Compounds containing heterocyclic rings (rings with atoms other than carbon) like this are often investigated for their potential biological activity for various reasons:

* **Structural Diversity:** Heterocycles offer a wide range of possible structures and functional groups, allowing for the development of compounds with diverse shapes and properties. This diversity allows for the exploration of different binding interactions with biological targets.
* **Potential Therapeutic Applications:** Many drugs and drug candidates contain heterocyclic rings. They can exhibit various biological activities, including:
* **Antimicrobial activity:** Targeting bacterial or fungal infections.
* **Antiviral activity:** Inhibiting viral replication.
* **Anti-inflammatory activity:** Reducing inflammation in the body.
* **Anticancer activity:** Targeting cancerous cells.
* **Central Nervous System (CNS) activity:** Affecting brain function and behavior.

**To Find Specific Information:**

* **Search PubChem:** You can search for the full compound name on PubChem (https://pubchem.ncbi.nlm.nih.gov/) to see if there is any data available about its biological activity or any research articles mentioning it.
* **Search Scientific Databases:** Use keywords like 1,3,4-oxadiazole, pyridinone, and biological activity in scientific databases like PubMed (https://pubmed.ncbi.nlm.nih.gov/) to find relevant research articles.

**Remember:** Researching the properties and importance of specific compounds requires access to scientific databases and knowledge of chemical nomenclature.

Cross-References

ID SourceID
PubMed CID2766582
CHEMBL ID1423621
CHEBI ID116371

Synonyms (14)

Synonym
1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
smr000336986
1-(3-chlorobenzyl)-3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1h)-pyridinone
MLS000721841
CHEBI:116371
AKOS005077110
HMS2718L03
400074-83-1
11E-309S
1-[(3-chlorophenyl)methyl]-3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]-1,2-dihydropyridin-2-one
CHEMBL1423621
1-[(3-chlorophenyl)methyl]-3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-2-pyridinone
Q27199254
DTXSID201326562
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aryl sulfideAny organic sulfide in which the sulfur is attached to at least one aromatic group.
[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 (15)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency100.00000.004023.8416100.0000AID485290
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency28.18380.177814.390939.8107AID2147
acid sphingomyelinaseHomo sapiens (human)Potency25.118914.125424.061339.8107AID504937
thioredoxin reductaseRattus norvegicus (Norway rat)Potency31.62280.100020.879379.4328AID588456
TDP1 proteinHomo sapiens (human)Potency23.10930.000811.382244.6684AID686978
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency35.48130.011212.4002100.0000AID1030
glucocerebrosidaseHomo sapiens (human)Potency17.78280.01268.156944.6684AID2101
alpha-galactosidaseHomo sapiens (human)Potency31.62284.466818.391635.4813AID1467
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.81070.035520.977089.1251AID504332
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency28.18380.036619.637650.1187AID1466; AID2242
chromobox protein homolog 1Homo sapiens (human)Potency89.12510.006026.168889.1251AID540317
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency95.28340.425612.059128.1838AID504891
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency28.18383.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency28.18383.548118.039535.4813AID1466
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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
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.
[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]