The compound you're referring to, 2-(1-benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazole, is a **heterocyclic organic compound** with a complex structure incorporating several functional groups. While there's no readily available, publicly accessible information on this specific compound and its potential research importance, we can analyze its structural features and speculate on its possible applications based on similar compounds.
Here's a breakdown of the compound and its potential significance:
**Structure:**
* **1,3,4-oxadiazole ring:** This heterocyclic ring system is known for its potential biological activity, often exhibiting anti-inflammatory, antimicrobial, and anticancer properties.
* **Benzimidazole moiety:** This nitrogen-containing heterocycle is commonly found in pharmaceuticals and agrochemicals. It can contribute to a variety of biological activities like antiparasitic, antiviral, and anticancer effects.
* **(4-chlorophenyl)methylthio group:** The presence of a chlorine atom on the phenyl ring could enhance its lipophilicity and influence its interaction with biological targets. The methylthio group might also contribute to its activity.
**Potential Research Importance:**
Based on the structural features, this compound could be investigated for:
* **Pharmacological Activity:** Due to the presence of known bioactive moieties like benzimidazole and oxadiazole, it might exhibit interesting pharmacological properties. It could be tested for its potential as an anti-inflammatory, antimicrobial, anticancer, or antiparasitic agent.
* **Agricultural Applications:** The combination of heterocyclic rings and the chlorophenyl group suggests potential as a pesticide or herbicide.
* **Material Science:** The compound's structure could be modified to create new materials with specific properties, like conductive polymers or optical materials.
**Important Note:** This analysis is based on general knowledge of similar compounds and their properties. Further investigation is required to determine the exact biological activity, potential applications, and overall importance of this specific compound.
**To gain further insight, you could:**
* **Search for publications:** Use chemical databases or scientific literature search engines to see if any research has been conducted on this specific compound or related structures.
* **Contact researchers:** Reach out to experts in medicinal chemistry, organic synthesis, or relevant fields to inquire about their knowledge of this compound.
Remember, the research importance of a compound is often determined by its biological activity and potential applications.
ID Source | ID |
---|---|
PubMed CID | 646906 |
CHEMBL ID | 1607661 |
CHEBI ID | 123389 |
Synonym |
---|
MLS000030897 , |
smr000001594 |
ASN 01915828 |
1-[5-(4-chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-ylmethyl]-1h-benzoimidazole |
CHEBI:123389 |
AKOS000722879 |
2-(benzimidazol-1-ylmethyl)-5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazole |
HMS2369P17 |
2-(benzimidazol-1-ylmethyl)-5-[(4-chlorobenzyl)thio]-1,3,4-oxadiazole |
cid_646906 |
bdbm46337 |
2-(1-benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazole |
CHEMBL1607661 |
Q27213100 |
Class | Description |
---|---|
benzimidazoles | An organic heterocyclic compound containing a benzene ring fused to an imidazole 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, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 89.1251 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
acid sphingomyelinase | Homo sapiens (human) | Potency | 125.8920 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
TDP1 protein | Homo sapiens (human) | Potency | 17.3457 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 10.0000 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 22.3872 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
67.9K protein | Vaccinia virus | Potency | 4.4668 | 0.0001 | 8.4406 | 100.0000 | AID720580 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 8.9125 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 8.1995 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 11.2202 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.1623 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 26.6795 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 16.7171 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2762; AID2763 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 8.9125 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 11.2202 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | Potency | 25.1189 | 0.3162 | 12.7657 | 31.6228 | AID881 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 8.9125 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 8.9125 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 25.1189 | 0.0063 | 8.2350 | 39.8107 | AID881 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 0.3548 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 12.5893 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[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) |
---|---|---|---|---|---|---|---|
STAT3, partial | Homo sapiens (human) | IC50 (µMol) | 5.0200 | 0.0760 | 4.0758 | 8.6430 | AID1399 |
signal transducer and activator of transcription 1-alpha/beta isoform alpha | Homo sapiens (human) | IC50 (µMol) | 55.7000 | 9.2540 | 9.2540 | 9.2540 | AID1411 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
AID651635 | Viability Counterscreen for 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. |
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 | |||
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. |
[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] |