Page last updated: 2024-12-09

1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide

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

1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide is a complex organic molecule with the following chemical structure:

* **1-phenyl:** A phenyl ring (C6H5) attached at position 1 of the pyrazole ring.
* **N-(3-pyridinylmethyl):** A 3-pyridinylmethyl group (C5H4NCH2) linked to the nitrogen atom at position 1 of the pyrazole ring.
* **3-thiophen-2-yl:** A thiophene ring (C4H4S) attached at position 3 of the pyrazole ring.
* **4-pyrazolecarboxamide:** A carboxamide group (CONH2) attached at position 4 of the pyrazole ring.

**Importance for Research:**

This specific compound, while not widely researched, likely holds potential due to its structure and functional groups. Here's why it might be of interest:

* **Heterocyclic Structure:** It contains a pyrazole ring, a common heterocyclic ring system found in many pharmaceuticals. Pyrazoles often exhibit pharmacological activity due to their ability to interact with biological targets.
* **Thiophene Ring:** The thiophene ring is known to enhance lipophilicity (fat solubility), which can increase the compound's ability to cross cell membranes and reach target sites.
* **Amide Group:** The carboxamide group is a common pharmacophore (part of a molecule responsible for its biological activity). Amides can interact with enzymes and receptors, influencing their activity.
* **Pyridinylmethyl Group:** The 3-pyridinylmethyl group can potentially modulate the compound's properties, such as its affinity for specific receptors or its metabolic stability.

**Possible Research Areas:**

1. **Drug Discovery:** 1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide could be a starting point for the development of new drugs with therapeutic potential. It may exhibit activity against a range of biological targets, such as enzymes, receptors, or ion channels.
2. **Material Science:** The compound's unique structure might lend itself to applications in materials science, such as the development of new polymers, sensors, or catalysts.
3. **Bioorganic Chemistry:** Researchers could study how the compound interacts with different biomolecules, providing insights into the mechanism of action and potential therapeutic applications.

**Note:** It is crucial to remember that simply having a complex structure does not guarantee a compound's importance. Further research is required to determine the actual properties and potential applications of this specific molecule.

Cross-References

ID SourceID
PubMed CID2311632
CHEMBL ID1471047
CHEBI ID104883

Synonyms (11)

Synonym
smr000060422
MLS000048729
CHEBI:104883
1-phenyl-n-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
MLS002633154
HMS2489D08
CHEMBL1471047
1-phenyl-n-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide
Q27182549
Z30173223
AKOS034125988
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
pyrazoles
ring assemblyTwo or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved.
[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 (7)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency89.12510.044717.8581100.0000AID485294
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency31.62280.177814.390939.8107AID2147
LuciferasePhotinus pyralis (common eastern firefly)Potency8.00600.007215.758889.3584AID411; AID588342
USP1 protein, partialHomo sapiens (human)Potency5.62340.031637.5844354.8130AID743255
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency3.98110.011212.4002100.0000AID1030
P53Homo sapiens (human)Potency11.22020.07319.685831.6228AID504706
Guanine nucleotide-binding protein GHomo sapiens (human)Potency7.07951.995325.532750.1187AID624287
[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
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
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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]