Page last updated: 2024-12-09

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone

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

The compound you described, **[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone**, is a complex organic molecule with a specific chemical structure. It's important to understand that this name is a scientific way of describing the compound's structure, not a common name like aspirin or penicillin.

**Understanding the structure:**

* **Oxdiazole:** The core of the molecule is a 1,3,4-oxadiazole ring. This ring is a five-membered heterocycle containing one oxygen atom and two nitrogen atoms.
* **Substituents:** The oxdiazole ring is further modified with specific substituents:
* **5-(4-chlorophenyl):** This means a phenyl group (a six-membered carbon ring) with a chlorine atom attached at the para position (opposite the point of attachment to the oxdiazole).
* **2-yl:** This indicates that the phenyl group is attached to the second carbon atom in the oxdiazole ring.
* **Methanone:** This part of the name indicates a ketone functional group (C=O), which is connected to the rest of the molecule via a carbonyl group.
* **4-(1-piperidinylsulfonyl)phenyl:** This refers to another phenyl group attached to the carbonyl group. It also has a piperidine ring (a six-membered ring with one nitrogen) attached to the phenyl group via a sulfonyl group (SO2).

**Importance in research:**

The importance of this specific compound depends on its specific biological properties and potential applications. Without further information, it's impossible to say definitively why it's important. However, given its complex structure, it's likely to be:

* **A potential drug candidate:** The presence of the oxdiazole ring, phenyl groups, and sulfonyl group are often found in molecules with pharmaceutical activity. The compound might be studied for its potential to interact with specific biological targets, potentially leading to therapeutic effects.
* **A chemical probe:** It could be used as a tool to study various biological processes or to understand the structure-activity relationships of similar compounds.
* **A starting material:** This compound might serve as a building block for synthesizing more complex molecules with potentially interesting properties.

**To determine its specific importance, you would need to know:**

* **Its biological activity:** Does it exhibit any effects on cells, organisms, or specific biological pathways?
* **Its chemical properties:** Is it stable, soluble, or reactive in certain conditions?
* **Its synthesis and characterization:** How is it prepared, and what are its physical and spectroscopic properties?
* **Its potential applications:** Is it being investigated for a specific medical condition, or is it a tool used in a specific research area?

Without this information, it's impossible to assess the significance of this specific compound.

Cross-References

ID SourceID
PubMed CID2349433
CHEMBL ID1468837
CHEBI ID121341

Synonyms (14)

Synonym
OPREA1_729319
MLS000098149 ,
smr000061250
CHEBI:121341
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
HMS2191P06
CHEMBL1468837
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone
cid_2349433
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-piperidinosulfonylphenyl)methanone
bdbm56058
Q27209877
Z56832322
AKOS034459081
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic ketoneA 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 Targets (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, HADH2 proteinHomo sapiens (human)Potency25.11890.025120.237639.8107AID886
Chain B, HADH2 proteinHomo sapiens (human)Potency25.11890.025120.237639.8107AID886
TDP1 proteinHomo sapiens (human)Potency25.92900.000811.382244.6684AID686979
PINK1Homo sapiens (human)Potency11.22022.818418.895944.6684AID624263
ParkinHomo sapiens (human)Potency11.22020.819914.830644.6684AID624263
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
kallikrein-5 preproproteinHomo sapiens (human)IC50 (µMol)50.00001.359211.306050.0000AID1431
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
AID1745845Primary 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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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]