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.
ID Source | ID |
---|---|
PubMed CID | 2349433 |
CHEMBL ID | 1468837 |
CHEBI ID | 121341 |
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 |
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, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID886 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID886 |
TDP1 protein | Homo sapiens (human) | Potency | 25.9290 | 0.0008 | 11.3822 | 44.6684 | AID686979 |
PINK1 | Homo sapiens (human) | Potency | 11.2202 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
Parkin | Homo sapiens (human) | Potency | 11.2202 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
kallikrein-5 preproprotein | Homo sapiens (human) | IC50 (µMol) | 50.0000 | 1.3592 | 11.3060 | 50.0000 | AID1431 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
AID1745845 | 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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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] |