Page last updated: 2024-12-09

1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)thiourea

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

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.

Cross-References

ID SourceID
PubMed CID2157974
CHEMBL ID1445489
CHEBI ID105591

Synonyms (9)

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
[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)Potency56.23410.631035.7641100.0000AID504339
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)Potency29.09290.000811.382244.6684AID686978; AID686979
Smad3Homo sapiens (human)Potency12.58930.00527.809829.0929AID588855
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency25.11890.011212.4002100.0000AID1030
glucocerebrosidaseHomo sapiens (human)Potency25.11890.01268.156944.6684AID2101
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency56.23410.035520.977089.1251AID504332
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency11.22020.00798.23321,122.0200AID2551
lamin isoform A-delta10Homo sapiens (human)Potency5.62340.891312.067628.1838AID1487
neuropeptide S receptor isoform AHomo sapiens (human)Potency7.94330.015812.3113615.5000AID1461
Guanine nucleotide-binding protein GHomo sapiens (human)Potency6.60771.995325.532750.1187AID624287; AID624288
[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
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.
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.
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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]