Page last updated: 2024-12-09

[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)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 provided, **[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone**, is a complex organic molecule with a long and descriptive chemical name. Let's break it down:

* **Structure:** It consists of a 1,2,4-triazole ring (a five-membered ring with nitrogen atoms) with a phenyl group (benzene ring) at position 3 and a (4-methoxyphenyl)methylamino group at position 5. This triazole ring is linked to a (4-nitrophenyl)methanone group (a benzoyl group with a nitro group).

* **Properties:** Due to its structural features, this compound is likely to possess:
* **Polarity:** The methoxy, nitro, and amide groups contribute to its polarity.
* **Aromatic character:** The presence of multiple benzene rings provides aromatic stability.
* **Potential for hydrogen bonding:** The amino group can participate in hydrogen bonding interactions.

**Importance in Research:**

Without further context, it's hard to definitively state the importance of this specific compound in research. However, based on its structure and potential properties, it could be relevant to several areas:

* **Drug Discovery:** The presence of an aromatic ring and a triazole ring are common features in drug molecules. This compound could be a starting point for developing new drugs targeting specific receptors or enzymes.
* **Materials Science:** The aromatic and polar nature of the compound could make it useful in developing novel materials for applications like organic electronics or sensors.
* **Chemical Biology:** The compound's ability to interact with biological targets could be exploited for studying biological processes or designing new probes for research.

**To understand its precise importance, you would need more information about the specific context:**

* **What research field is it being investigated in?** (e.g., medicinal chemistry, materials science)
* **What is the specific research question it is addressing?**
* **What are its biological activities or material properties?**

By knowing the specific context, we can better understand its significance and contribution to scientific advancements.

Cross-References

ID SourceID
PubMed CID2212288
CHEMBL ID1607516
CHEBI ID120399
SCHEMBL ID10016335

Synonyms (11)

Synonym
HMS2577P10
n-(4-methoxybenzyl)-1-(4-nitrobenzoyl)-3-phenyl-1h-1,2,4-triazol-5-amine
smr000200099
MLS000581473
CHEBI:120399
[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone
KUC113493N
ksc-358-096-1_2013-07-15
SCHEMBL10016335
CHEMBL1607516
Q27208240
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
triazolesAn azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.
[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 (15)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency44.66840.044717.8581100.0000AID485294
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency35.48130.631035.7641100.0000AID504339
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency25.11890.177814.390939.8107AID2147
Chain A, CruzipainTrypanosoma cruziPotency31.62280.002014.677939.8107AID1476
BRCA1Homo sapiens (human)Potency11.22020.89137.722525.1189AID624202
ATAD5 protein, partialHomo sapiens (human)Potency20.59620.004110.890331.5287AID504467
Microtubule-associated protein tauHomo sapiens (human)Potency10.00000.180013.557439.8107AID1460
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency31.62280.707936.904389.1251AID504333
P53Homo sapiens (human)Potency16.18190.07319.685831.6228AID504706; AID624305
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency25.11890.035520.977089.1251AID504332
chromobox protein homolog 1Homo sapiens (human)Potency6.30960.006026.168889.1251AID540317
mitogen-activated protein kinase 1Homo sapiens (human)Potency19.95260.039816.784239.8107AID1454
ras-related protein Rab-9AHomo sapiens (human)Potency3.16230.00022.621531.4954AID485297
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency1.12200.00798.23321,122.0200AID2551
survival motor neuron protein isoform dHomo sapiens (human)Potency35.48130.125912.234435.4813AID1458
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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
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.
[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]