Page last updated: 2024-12-08

(1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone

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 specific organic molecule, **(1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone**. This molecule is a complex organic compound that likely has applications in various research fields. Here's a breakdown of its structure and potential significance:

**Understanding the Structure:**

* **Pyrrole:** The core of the molecule is a pyrrole ring, a five-membered aromatic ring containing a nitrogen atom.
* **Substituents:**
* **tert-Butyl (t-Bu):** A bulky group attached to the 1-position of the pyrrole ring.
* **Phenyl (Ph):** A benzene ring attached to the 5-position of the pyrrole ring.
* **Phenylmethanone:** This is a benzoyl group, a benzene ring with a carbonyl group (C=O) directly attached to the pyrrole ring at the 3-position.

**Potential Importance for Research:**

The specific properties and potential applications of (1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone are difficult to determine without more context or a specific research objective. However, its structure suggests potential uses in the following areas:

* **Organic Chemistry & Materials Science:**
* **Synthesis and Reactivity:** The presence of the pyrrole ring and benzoyl group could make it a useful building block for synthesizing other organic compounds, potentially with interesting optical or electronic properties.
* **Polymer Chemistry:** The molecule could be incorporated into polymer chains to create new materials with specific functionalities.
* **Photochemistry:** The benzoyl group might exhibit photochemical properties (e.g., absorbing UV light), making it relevant for photocatalysis or fluorescent materials.

* **Medicinal Chemistry:**
* **Drug Discovery:** The presence of both a pyrrole ring and a phenylmethanone group suggests the possibility of biological activity. It could be a starting point for developing new pharmaceutical agents.
* **Probing Biological Targets:** The molecule might bind to specific receptors or enzymes in biological systems, making it useful for studying their function.

**To Get More Specific Information:**

To understand the exact significance of this molecule, you would need to know:

* **The context of the research:** What specific research question is it addressing?
* **Its synthesis and characterization:** How was it made and what are its physical and chemical properties?
* **Its biological activity:** Does it interact with any biological systems?

Without more information, it's impossible to say definitively why this molecule is important. However, its complex structure and potential for interaction with other molecules make it a fascinating candidate for further research.

Cross-References

ID SourceID
PubMed CID288774
CHEMBL ID1312018
CHEBI ID105288

Synonyms (14)

Synonym
nsc-150114
nsc150114
55933-61-4
mls000766154 ,
smr000528631
CHEBI:105288
sr-01000768646
SR-01000768646-2
(1-tert-butyl-5-phenyl-1h-pyrrol-3-yl)(phenyl)methanone
HMS2884H13
CHEMBL1312018
Q27183003
(1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone
DTXSID70971354
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic ketoneA ketone in which the carbonyl group is attached to an aromatic ring.
[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 (14)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency3.98110.003245.467312,589.2998AID2517
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency56.23410.631035.7641100.0000AID504339
LuciferasePhotinus pyralis (common eastern firefly)Potency37.93300.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency1.12200.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency21.14460.000811.382244.6684AID686978; AID686979
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency28.18380.707912.194339.8107AID720542
glucocerebrosidaseHomo sapiens (human)Potency10.00000.01268.156944.6684AID2101
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency39.81070.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency35.48130.035520.977089.1251AID504332
chromobox protein homolog 1Homo sapiens (human)Potency19.95260.006026.168889.1251AID540317
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency44.66843.548119.542744.6684AID743266
histone-lysine N-methyltransferase 2A isoform 2 precursorHomo sapiens (human)Potency10.00000.010323.856763.0957AID2662
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency0.28180.050127.073689.1251AID588590
neuropeptide S receptor isoform AHomo sapiens (human)Potency12.58930.015812.3113615.5000AID1461
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (12)

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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
[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]