Page last updated: 2024-12-10

(4-methylphenyl)-[4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]methanone

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

The compound you're asking about, (4-methylphenyl)-[4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]methanone, is a complex organic molecule with a specific structure. However, it doesn't have a well-established name or common use in scientific research.

**To understand why it might be important for research, we need to break down its structure and potential properties:**

* **Structure:**
* It contains a **phenyl ring** substituted with a methyl group (4-methylphenyl).
* It has a **piperazine ring** with a substituted phenyl group containing a nitro group (NO2) and a pyrrole ring.
* The **methanone** part indicates a carbonyl group (C=O) connecting the phenyl and piperazine moieties.

* **Potential Properties:**
* **Pharmacological Activity:** The combination of the phenyl, piperazine, and pyrrole rings, along with the nitro group, could potentially lead to interesting pharmacological activity. For example, it might:
* **Interact with receptors:** Piperazine rings are common in drugs that interact with receptors in the brain and central nervous system.
* **Exhibit antioxidant properties:** The pyrrole ring can sometimes be associated with antioxidant activity.
* **Have anti-inflammatory effects:** The nitro group is known to be present in some anti-inflammatory compounds.
* **Chemical Reactivity:** The presence of the nitro group and carbonyl group could make this molecule reactive and potentially useful in organic synthesis reactions.

**Why it might not be researched:**

* **Novelty:** The specific combination of functional groups might not be unique or particularly interesting for researchers.
* **Lack of biological target:** Without a known biological target, it's difficult to justify further research.
* **Synthesis Difficulty:** Synthesizing complex molecules like this can be challenging and expensive.

**Overall, while (4-methylphenyl)-[4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]methanone could have potential for research, it's important to consider:**

1. **Is there a specific reason to study this molecule?** Does it show promising activity in a particular biological assay or have a unique structural feature that warrants further investigation?
2. **What are the potential risks and benefits of studying this molecule?**

Without further context or information about its potential applications, it's difficult to definitively say why this particular molecule is important for research.

Cross-References

ID SourceID
PubMed CID2809896
CHEMBL ID1423868
CHEBI ID120586

Synonyms (10)

Synonym
OPREA1_353235
MLS000830160
smr000458081
(4-methylphenyl){4-[4-nitro-2-(1h-pyrrol-1-yl)phenyl]piperazino}methanone
CHEBI:120586
(4-methylphenyl)-[4-(4-nitro-2-pyrrol-1-ylphenyl)piperazin-1-yl]methanone
HMS2794J24
CHEMBL1423868
(4-methylphenyl)-[4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]methanone
Q27208712
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
piperazines
[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)Potency15.84890.631035.7641100.0000AID504339
Chain A, Ferritin light chainEquus caballus (horse)Potency15.84895.623417.292931.6228AID485281
glp-1 receptor, partialHomo sapiens (human)Potency7.94330.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency20.73290.000811.382244.6684AID686978; AID686979
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency17.78280.707912.194339.8107AID720542
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency15.84890.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency28.18380.035520.977089.1251AID504332
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency50.11870.354828.065989.1251AID504847
chromobox protein homolog 1Homo sapiens (human)Potency50.11870.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency32.64270.00419.984825.9290AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency125.89203.548119.542744.6684AID743266
neuropeptide S receptor isoform AHomo sapiens (human)Potency10.00000.015812.3113615.5000AID1461
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
AID651635Viability Counterscreen for Primary 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]