The compound you provided, **1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea**, is a complex organic molecule with a long and descriptive chemical name. To understand its significance, we need to break down its structure and potential applications.
**Structural Features:**
* **1,2,4-Triazole Ring:** This is a five-membered ring containing nitrogen atoms. It is commonly found in pharmaceuticals and agrochemicals. The presence of the triazole ring suggests potential for biological activity.
* **Sulfur (S) and Oxygen (O) Atoms:** These atoms are often involved in interactions with biological molecules and could contribute to the compound's activity.
* **Phenyl Groups:** The phenyl groups (C6H5) are aromatic ring systems, known for their stability and potential for interactions with hydrophobic sites.
* **Chlorine Atom:** This is a halogen atom, and its presence can often enhance a compound's activity.
**Potential Importance for Research:**
This compound's structure suggests potential uses in various research areas, including:
* **Pharmaceutical Research:**
* **Antimicrobial Activity:** The presence of the triazole ring and sulfur atoms could indicate potential antibacterial, antifungal, or antiviral properties. This compound could be investigated for its ability to inhibit the growth of microorganisms.
* **Anti-inflammatory Activity:** The complex structure and presence of heteroatoms could indicate potential for reducing inflammation.
* **Other Therapeutic Targets:** The molecule might exhibit activity against other biological targets, such as cancer cells, enzymes, or receptors.
* **Agrochemical Research:**
* **Herbicidal Activity:** The combination of aromatic rings, sulfur, and nitrogen could indicate potential for controlling weeds.
* **Pesticide Activity:** The molecule might be investigated for its ability to control pests, such as insects or fungi.
**Need for Further Research:**
It is crucial to note that simply observing the structure does not guarantee the compound's biological activity or its suitability for any specific application. Extensive experimental research is necessary to determine:
* **Biological Activity:** The compound's effectiveness against specific targets.
* **Pharmacokinetic Properties:** How the body absorbs, distributes, metabolizes, and eliminates the compound.
* **Toxicity:** The compound's potential safety profile.
**Conclusion:**
1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea is a complex molecule with structural features suggestive of potential biological activity. However, comprehensive research is needed to determine its specific properties and its potential applications in pharmaceutical, agrochemical, or other scientific fields.
ID Source | ID |
---|---|
PubMed CID | 1543050 |
CHEMBL ID | 1307849 |
CHEBI ID | 123334 |
Synonym |
---|
AKOS002174577 |
1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylthiourea |
MLS000590881 , |
smr000217677 |
STK011670 |
2-({[4-(4-chlorophenyl)-5-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetyl)-n-phenylhydrazinecarbothioamide |
CHEBI:123334 |
HMS2550A08 |
CHEMBL1307849 |
1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-phenyl-thiourea |
cid_1543050 |
bdbm114492 |
1-[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-phenyl-thiourea |
1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea |
Q27213043 |
315200-52-3 |
Class | Description |
---|---|
triazoles | An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. |
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 0.2818 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 22.3342 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 39.8107 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 8.9125 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
TDP1 protein | Homo sapiens (human) | Potency | 1.8356 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 35.4813 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 15.8489 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 10.0000 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 50.1187 | 0.0366 | 19.6376 | 50.1187 | AID2100 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 12.9244 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
[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) |
---|---|---|---|---|---|---|---|
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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 | |||
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. |
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. |
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 | |||
[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] |