Page last updated: 2024-12-09

1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(3-fluorophenyl)-1-(3-pyridinylmethyl)thiourea

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

You're asking about a complex organic molecule, specifically a thiourea derivative. Here's a breakdown:

**1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(3-fluorophenyl)-1-(3-pyridinylmethyl)thiourea**

* **Thiourea:** The core structure is thiourea, which contains a carbon atom double-bonded to a sulfur atom and single-bonded to two nitrogen atoms.
* **Substituents:** This specific thiourea molecule has several substituents attached to the core thiourea structure:
* **(5-fluoro-2-methyl-1H-indol-3-yl)ethyl:** This is a complex group with:
* **Indole:** A bicyclic aromatic ring system with a nitrogen atom in the five-membered ring.
* **5-fluoro:** A fluorine atom attached to the 5th position on the indole ring.
* **2-methyl:** A methyl group (CH3) attached to the 2nd position on the indole ring.
* **Ethyl:** A two-carbon chain (CH2-CH3) attached to the 3rd position on the indole ring.
* **3-fluorophenyl:** A phenyl ring (benzene ring) with a fluorine atom attached to the 3rd position.
* **3-pyridinylmethyl:** A pyridinyl ring (six-membered ring with a nitrogen atom) with a methylene group (CH2) attached to the 3rd position, which is then connected to the thiourea.

**Importance in Research**

The importance of this specific thiourea molecule depends on the context of the research. However, thioureas in general have a wide range of applications due to their diverse chemical and pharmacological properties. Some potential research areas where this compound could be studied include:

* **Medicinal Chemistry:** Thioureas are known for their biological activity and are often investigated as potential drug candidates. This specific compound might be explored for its:
* **Antimicrobial activity:** Thioureas can inhibit the growth of bacteria and fungi.
* **Anti-inflammatory activity:** They might reduce inflammation.
* **Antioxidant properties:** Thioureas can scavenge free radicals.
* **Material Science:** Thioureas can act as ligands (molecules that bind to metals), which is relevant in areas such as:
* **Catalysis:** Thioureas can bind to metal ions and catalyze chemical reactions.
* **Materials synthesis:** They can be used to create new materials with specific properties.
* **Analytical Chemistry:** Thioureas can be used as:
* **Analytical reagents:** They can react with specific compounds, leading to changes in color or other properties that can be used for detection or quantification.

**Important Note:** It's crucial to know the specific research goal when evaluating the importance of this compound. Without more context, it's impossible to say definitively why it's important.

**To learn more:**

* You can search for publications or databases related to thiourea derivatives.
* You could contact researchers specializing in medicinal chemistry or material science to learn more about their specific applications.

Cross-References

ID SourceID
PubMed CID2157931
CHEMBL ID1333119
CHEBI ID115447

Synonyms (10)

Synonym
smr000319875
MLS000419202
CHEBI:115447
1-[2-(5-fluoro-2-methyl-1h-indol-3-yl)ethyl]-3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)thiourea
1-[2-(5-fluoro-2-methyl-1h-indol-3-yl)ethyl]-3-(3-fluorophenyl)-1-[(pyridin-3-yl)methyl]thiourea
AKOS001494751
HMS2675J05
CHEMBL1333119
Q27197298
1-[2-(5-fluoro-2-methyl-1h-indol-3-yl)ethyl]-3-(3-fluorophenyl)-1-(3-pyridinylmethyl)thiourea
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
thioureasCompounds 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 Targets (12)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency50.11870.631035.7641100.0000AID504339
glp-1 receptor, partialHomo sapiens (human)Potency10.00000.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency29.08100.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686979
Smad3Homo sapiens (human)Potency35.48130.00527.809829.0929AID588855
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency31.62280.707936.904389.1251AID504333
IDH1Homo sapiens (human)Potency29.09290.005210.865235.4813AID686970
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.81070.035520.977089.1251AID504332
gemininHomo sapiens (human)Potency29.09290.004611.374133.4983AID624296
survival motor neuron protein isoform dHomo sapiens (human)Potency15.84890.125912.234435.4813AID1458
neuropeptide S receptor isoform AHomo sapiens (human)Potency10.00000.015812.3113615.5000AID1461
Guanine nucleotide-binding protein GHomo sapiens (human)Potency19.95261.995325.532750.1187AID624288
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]