You're asking about **2-(1,3-benzodioxol-5-yl)-5-[[2-(4-methoxyphenyl)-4,5-dihydrothiazol-5-yl]methylthio]-1,3,4-oxadiazole**, a complex organic compound with a rather unwieldy name! It's important to understand that this molecule is a research chemical, often referred to by its shorthand name, **[Compound Name]**.
Here's why [Compound Name] is important in research:
* **Pharmacological Activity:** [Compound Name] exhibits promising pharmacological activity as a potential therapeutic agent. This means it might have the ability to interact with biological systems and potentially treat disease. However, the exact mechanism of action and therapeutic potential are still being investigated.
* **Target Specificity:** The structure of [Compound Name] is designed to target specific biological pathways or receptors. This specificity is crucial for developing drugs that are effective and have minimal side effects.
* **Research Tool:** Even if [Compound Name] doesn't become a commercial drug, it might serve as a valuable research tool. Scientists can use it to study the function of the target pathway or receptor it interacts with. This knowledge can then be used to develop new and improved treatments.
**Key Considerations:**
* **Structure-Activity Relationships (SAR):** [Compound Name] may be part of a series of compounds where researchers are modifying the structure to understand how changes affect the compound's activity.
* **Lead Compound:** [Compound Name] could be a lead compound - a promising starting point for developing new drugs with better properties.
* **Safety and Toxicity:** Research into [Compound Name] includes extensive safety and toxicity testing to ensure it is safe for human use.
**To find more information about [Compound Name], you would need to:**
* **Consult Scientific Databases:** Search for the compound name in scientific databases like PubMed or Google Scholar.
* **Look for Research Publications:** Identify articles that discuss the compound's properties, synthesis, or biological activity.
* **Connect with Researchers:** Contact researchers working in the field of drug discovery or medicinal chemistry who may have expertise in the compound.
**Remember:** Without specific context or research findings, it's impossible to provide detailed information about the exact research implications of this compound.
ID Source | ID |
---|---|
PubMed CID | 2999476 |
CHEMBL ID | 1418463 |
CHEBI ID | 123163 |
Synonym |
---|
MLS000053977 |
smr000063406 |
CHEBI:123163 |
MLS002635527 |
HMS1727O03 |
2-(1,3-benzodioxol-5-yl)-5-[[2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole |
HMS2385I15 |
TCMDC-143594 |
CHEMBL1418463 |
Q27212712 |
2-(1,3-benzodioxol-5-yl)-5-[[2-(4-methoxyphenyl)-4,5-dihydrothiazol-5-yl]methylthio]-1,3,4-oxadiazole |
Z19456393 |
AKOS033684221 |
2-(benzo[d][1,3]dioxol-5-yl)-5-(((2-(4-methoxyphenyl)-4,5-dihydrothiazol-5-yl)methyl)thio)-1,3,4-oxadiazole |
745033-86-7 |
way-624876 |
CS-0891512 |
HY-155207 |
antileishmanial agent-23 |
Class | Description |
---|---|
benzodioxoles | |
[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, Beta-lactamase | Escherichia coli K-12 | Potency | 100.0000 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 39.8107 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 14.7405 | 0.0072 | 15.7588 | 89.3584 | AID411; AID588342 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 32.6427 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
USP1 protein, partial | Homo sapiens (human) | Potency | 44.6684 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
TDP1 protein | Homo sapiens (human) | Potency | 20.2550 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 2.8184 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
Smad3 | Homo sapiens (human) | Potency | 8.9125 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 31.6228 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 17.7828 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 22.3872 | 0.0018 | 15.6638 | 39.8107 | AID894 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 23.1093 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 35.4813 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 35.4813 | 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 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 42.5615 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 15.8489 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 15.2112 | 1.9953 | 25.5327 | 50.1187 | AID624287; AID624288 |
[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) |
---|---|---|---|---|---|---|---|
Sterol 14-alpha demethylase | Trypanosoma cruzi strain CL Brener | IC50 (µMol) | 10.0000 | 0.0010 | 1.7070 | 10.0000 | AID1207588 |
Carnitine O-palmitoyltransferase 1, muscle isoform | Homo sapiens (human) | IC50 (µMol) | 10.0000 | 0.1259 | 4.2440 | 10.0000 | AID1207588 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
carnitine O-palmitoyltransferase activity | Carnitine O-palmitoyltransferase 1, muscle isoform | Homo sapiens (human) |
protein binding | Carnitine O-palmitoyltransferase 1, muscle isoform | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
mitochondrion | Carnitine O-palmitoyltransferase 1, muscle isoform | Homo sapiens (human) |
mitochondrial outer membrane | Carnitine O-palmitoyltransferase 1, muscle isoform | Homo sapiens (human) |
mitochondrion | Carnitine O-palmitoyltransferase 1, muscle isoform | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1159565 | Trypanosoma cruzi intracellular imaging assay | 2015 | Scientific reports, Mar-05, Volume: 5 | New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource. |
AID1159560 | Leishmania donovani. Primary growth inhibition assay | 2015 | Scientific reports, Mar-05, Volume: 5 | New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource. |
AID1159564 | Intra-macrophage L. donovani assay | 2015 | Scientific reports, Mar-05, Volume: 5 | New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource. |
AID1159558 | TcCYP51 enzymatic inhibition | 2015 | Scientific reports, Mar-05, Volume: 5 | New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource. |
AID1159559 | Trypanosoma cruzi. Primary growth inhibition assay | 2015 | Scientific reports, Mar-05, Volume: 5 | New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource. |
AID1159562 | Trypanosoma brucei growth inhibition luminescent assay | 2015 | Scientific reports, Mar-05, Volume: 5 | New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource. |
AID1159563 | HepG2 cytotoxicity assay | 2015 | Scientific reports, Mar-05, Volume: 5 | New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource. |
AID1159557 | Trypanosoma brucei. Primary growth inhibition assay | 2015 | Scientific reports, Mar-05, Volume: 5 | New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource. |
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. |
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 | |||
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. |
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. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
[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 (12.50) | 29.6817 |
2010's | 6 (75.00) | 24.3611 |
2020's | 1 (12.50) | 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 (12.15) 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 | 8 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |