1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea is a complex organic molecule with a rather specific structure. While the exact details of its importance in research are difficult to determine without further context, we can analyze its structural features and speculate on potential research areas:
**Structural Analysis:**
* **Thiourea:** The presence of a thiourea group suggests potential activity as a **bioactive molecule**. Thioureas are known to exhibit diverse biological properties, including:
* **Antimicrobial activity:** They can interact with bacterial enzymes and disrupt their function.
* **Anti-inflammatory activity:** They can inhibit the production of inflammatory mediators.
* **Antioxidant activity:** They can scavenge free radicals and protect cells from damage.
* **1,3,4-oxadiazole:** This heterocyclic ring system is known to be present in various pharmacologically active compounds. It can contribute to:
* **Increased stability:** The rigid ring system can enhance the stability of the molecule.
* **Enhanced lipophilicity:** This can improve the compound's ability to cross cell membranes.
* **Novel biological interactions:** The oxadiazole ring can bind to specific receptors or enzymes.
* **Sulfanylidene group:** This sulfur-containing group can introduce additional reactivity and potentially influence the molecule's activity.
**Potential Research Areas:**
Based on its structural features, this molecule could be a potential candidate for research in the following areas:
* **Drug discovery:** Investigating its activity against various disease targets, including bacterial infections, inflammation, or cancer.
* **Material science:** Investigating its potential as a building block for novel materials with specific optical or electronic properties.
* **Analytical chemistry:** Investigating its ability to act as a sensitive sensor for specific analytes.
**Key Considerations:**
* **Specificity:** The exact importance of this molecule in research depends heavily on its specific biological targets or applications.
* **Synthesis and Characterization:** Before conducting any research, it's crucial to synthesize the molecule with high purity and characterize its physical and chemical properties.
* **Safety and Toxicity:** It's important to assess the safety profile of this molecule before any in vivo or clinical studies.
**To better understand the research importance of this molecule, you need additional information such as:**
* **Its synthesis and characterization data.**
* **Its biological activity against specific targets.**
* **Its application in a particular research field.**
I hope this analysis helps!
ID Source | ID |
---|---|
PubMed CID | 1627636 |
CHEMBL ID | 1432353 |
CHEBI ID | 109380 |
Synonym |
---|
n-[3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenyl]hydrazinecarbothioamide |
STL347839 |
smr000427829 |
MLS001047498 |
CHEBI:109380 |
AKOS001482758 |
1-amino-3-[3-(2-sulfanylidene-3h-1,3,4-oxadiazol-5-yl)phenyl]thiourea |
HMS2782F13 |
CHEMBL1432353 |
Q27188498 |
sr-01000078560 |
SR-01000078560-1 |
Class | Description |
---|---|
benzenes | Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. |
[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 | 6.3096 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 31.6228 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
chaperonin-containing TCP-1 beta subunit homolog | Homo sapiens (human) | Potency | 70.7946 | 3.9811 | 27.7649 | 39.8107 | AID504842 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 79.4328 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
GLS protein | Homo sapiens (human) | Potency | 17.7828 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 22.3872 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 3.1623 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 19.9526 | 0.0366 | 19.6376 | 50.1187 | AID2100 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 50.1187 | 0.1337 | 25.4129 | 89.1251 | AID588795 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 50.1187 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 79.4328 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 17.7828 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
relaxin receptor 1 isoform 1 | Homo sapiens (human) | Potency | 10.0000 | 0.0388 | 14.3501 | 43.6206 | AID2676 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 89.1251 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 10.0000 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 10.0000 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
guanyl-nucleotide exchange factor activity | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein domain specific binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
cAMP binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
protein binding | Glycoprotein hormones alpha chain | Homo sapiens (human) |
follicle-stimulating hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
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. |
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. |
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 | |||
AID629719 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as growth inhibition at 6.25 ug/mL after 4 days by microplate alamar blue assay | 2011 | Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22 | The structure-antituberculosis activity relationships study in a series of 5-aryl-2-thio-1,3,4-oxadiazole derivatives. |
[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 (16.67) | 29.6817 |
2010's | 4 (66.67) | 24.3611 |
2020's | 1 (16.67) | 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 (12.35) 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 | 6 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |