Page last updated: 2024-12-09

1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidinyl)ethanone

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

The compound you described, **1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidinyl)ethanone**, is a complex organic molecule with a specific structure and chemical properties. It likely has potential for research due to its structural similarity to known pharmacologically active compounds.

Here's a breakdown:

* **Structure:** The compound consists of a 2-fluorophenyl group attached to a pyrrole ring, which is further connected to a piperidine ring through a ketone group. This specific arrangement of atoms gives the molecule a unique shape and chemical characteristics.
* **Potential Applications:** This compound's structure suggests potential applications in medicinal chemistry research, particularly in the development of new drugs.
* **Possible Activities:** The molecule might exhibit activity against various targets due to its structure and the presence of specific functional groups. These targets could include:
* **Receptors:** The pyrrole and piperidine rings could interact with specific receptors in the body, leading to a pharmacological response.
* **Enzymes:** The molecule might act as an inhibitor or activator of certain enzymes, potentially affecting various biological processes.
* **Other Biological Targets:** The specific arrangement of the functional groups could allow for interactions with other biological targets, including DNA or proteins.

**Why it's important for research:**

* **New Drug Discovery:** This compound represents a potential starting point for developing novel therapeutic agents. By modifying the molecule's structure, researchers can create analogs with improved pharmacological properties.
* **Understanding Biological Processes:** Investigating the compound's interactions with biological targets can shed light on the underlying mechanisms of disease and provide insights into potential new treatment strategies.
* **Developing New Research Tools:** The compound could serve as a valuable tool for research, helping scientists probe the activity of specific biological targets or pathways.

**It's crucial to understand:**

* **No available data:** Without specific research on this particular compound, its exact properties and potential applications remain unknown.
* **Further research is needed:** To fully understand the compound's potential, further research is necessary, including biological testing, pharmacological evaluations, and structure-activity relationship studies.

**To obtain more information:**

* **Search for scientific literature:** Use online databases like PubMed or Google Scholar to search for research publications related to this compound or its analogs.
* **Contact research groups:** Reach out to research groups specializing in medicinal chemistry or drug discovery for insights into the potential of this compound.

Remember, without further research and specific investigations, the importance and applications of 1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidinyl)ethanone remain speculative.

Cross-References

ID SourceID
PubMed CID2360549
CHEMBL ID1351963
CHEBI ID105021

Synonyms (14)

Synonym
smr000259740
MLS000390702 ,
CHEBI:105021
1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone
HMS2552G03
CHEMBL1351963
cid_2360549
bdbm63295
1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidinyl)ethanone
1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperidino)ethanone
1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone
Q27182696
Z55324086
AKOS034444852
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
pyrrolesAn azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton.
[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 (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
LuciferasePhotinus pyralis (common eastern firefly)Potency1.90120.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency0.79430.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency1.73450.004110.890331.5287AID504466; AID504467
TDP1 proteinHomo sapiens (human)Potency19.73470.000811.382244.6684AID686978; AID686979
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency50.11870.035520.977089.1251AID504332
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency10.32250.00419.984825.9290AID504444
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency5.04510.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency29.09290.004611.374133.4983AID624296
survival motor neuron protein isoform dHomo sapiens (human)Potency2.23870.125912.234435.4813AID1458
Guanine nucleotide-binding protein GHomo sapiens (human)Potency50.11871.995325.532750.1187AID624287
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Hsf1 proteinMus musculus (house mouse)EC50 (µMol)0.16000.160024.4900236.5000AID2382
[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
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
[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]