The compound you've described, **1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)thiourea**, is a complex organic molecule that likely has **pharmacological activity**. Let's break down why it's important for research:
**Structure and Properties:**
* **Thiourea:** The compound is a thiourea derivative, a class of molecules known for their diverse biological activities, often acting as inhibitors of enzymes or receptors.
* **Aromatic Rings:** The presence of multiple aromatic rings (indole, phenyl, pyridine) suggests potential interactions with biological targets, such as proteins.
* **Substituents:** The fluorine and methyl substituents on the indole ring and fluorine substituent on the phenyl ring can influence the molecule's shape, reactivity, and interactions with biological systems.
**Importance for Research:**
* **Drug Discovery:** The complex structure and potential for biological activity make this compound a prime candidate for drug discovery research. It might be evaluated for its ability to interact with specific targets involved in disease processes.
* **Understanding Biological Pathways:** The study of this compound could lead to insights into the function of relevant biological pathways and how they can be modulated.
* **Lead Optimization:** Researchers might use this compound as a starting point to develop new drugs with improved potency, selectivity, or pharmacokinetic properties.
**Possible Applications:**
* **Cancer Therapy:** Given the presence of an indole ring, this compound could be investigated for anti-cancer activity. Indole derivatives are known to exhibit a range of anti-cancer properties.
* **Anti-Inflammatory Activity:** Thiourea derivatives often have anti-inflammatory properties. This compound could be explored for its potential to reduce inflammation.
* **Neurological Disorders:** The pyridine ring and other structural features could suggest activity in the central nervous system, making it a candidate for research into neurological disorders.
**Further Research:**
To fully understand the importance of this compound, further research is needed to:
* **Determine its biological activity:** This can be done through laboratory studies involving cell cultures, enzyme assays, and animal models.
* **Identify its target:** Identifying the specific protein or receptor that the compound interacts with can provide valuable insights into its mechanism of action.
* **Optimize its properties:** Researchers might use this compound as a starting point to develop new drugs with improved potency, selectivity, or pharmacokinetic properties.
Overall, the compound 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)thiourea represents a potentially valuable molecule for biomedical research. Its complex structure and potential for biological activity make it a promising candidate for drug discovery and the investigation of various biological pathways.
ID Source | ID |
---|---|
PubMed CID | 2157974 |
CHEMBL ID | 1445489 |
CHEBI ID | 105591 |
Synonym |
---|
MLS000419252 |
smr000319880 |
CHEBI:105591 |
1-[2-(5-fluoro-2-methyl-1h-indol-3-yl)ethyl]-3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)thiourea |
3-[2-(5-fluoro-2-methyl-1h-indol-3-yl)ethyl]-1-(4-fluorophenyl)-3-[(pyridin-4-yl)methyl]thiourea |
AKOS001494629 |
HMS2250M07 |
CHEMBL1445489 |
Q27183342 |
Class | Description |
---|---|
thioureas | Compounds of general formula RR'NC(=S)NR''R'''. |
[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 | 56.2341 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 10.0000 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0810 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 12.5893 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 25.1189 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
glucocerebrosidase | Homo sapiens (human) | Potency | 25.1189 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 56.2341 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 11.2202 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 5.6234 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 7.9433 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 6.6077 | 1.9953 | 25.5327 | 50.1187 | AID624287; AID624288 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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) |
[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) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | 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] |