Page last updated: 2024-12-10

2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid

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

The compound you've described, **2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid**, is a complex organic molecule with a specific structure. This structure is often simplified by scientists using the chemical name **2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propionic acid** or the abbreviation **MOPP**.

While there is no publicly available information about its specific applications in research, the presence of certain structural features within the molecule suggests potential areas of interest:

**Structural Features & Potential Applications:**

* **Pyridazine Ring:** Pyridazines are known to exhibit a wide range of biological activities, including anti-inflammatory, antitumor, and antimicrobial properties.
* **Benzothiolo Ring:** This ring system is commonly found in compounds with potential therapeutic applications. For example, some benzothiolo derivatives are known to possess anti-cancer activity.
* **Propanoic Acid Group:** This group is often associated with drug molecules as it can affect a compound's pharmacokinetic properties, influencing how the drug is absorbed, distributed, metabolized, and eliminated from the body.

**Hypothetical Research Significance:**

Given the presence of these structural features, it is likely that this compound might be of interest to researchers working in the following fields:

* **Drug Discovery:** The molecule's potential for biological activity, particularly its possible anti-inflammatory, antitumor, and antimicrobial properties, might lead to further research to explore its use as a lead compound for drug development.
* **Medicinal Chemistry:** Chemists might study the molecule's structure-activity relationship (SAR) to understand how different parts of the molecule contribute to its biological activity.
* **Chemical Biology:** Researchers could investigate the interactions of this molecule with biological systems, such as enzymes, receptors, or proteins, to elucidate its mechanism of action.

**Important Note:** Without specific research publications or experimental data, it is impossible to definitively state the specific reasons for this molecule's importance. Its significance is likely related to its structural features and potential for biological activity, but further research is needed to confirm its actual applications.

Cross-References

ID SourceID
PubMed CID3242118
CHEMBL ID1523214
CHEBI ID109278

Synonyms (18)

Synonym
2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1h)-yl)propanoic acid
smr000031388
MLS000095840 ,
CHEBI:109278
AKOS004911570
2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid
CCG-34121
HMS2434D05
2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)propionic acid
bdbm42732
2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid
cid_3242118
OSERJAMIDNURES-UHFFFAOYSA-N
[1]benzothieno[2,3-d]pyridazine-2-acetic acid, 1,2-dihydro-.alpha.,4-dimethyl-1-oxo-
CHEMBL1523214
Q27188357
SR-01000102363-1
sr-01000102363
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
organonitrogen compoundAny heteroorganic entity containing at least one carbon-nitrogen bond.
organooxygen compoundAn organochalcogen compound containing at least one carbon-oxygen bond.
[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 (13)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency22.38720.177814.390939.8107AID2147
LuciferasePhotinus pyralis (common eastern firefly)Potency37.93300.007215.758889.3584AID588342
ClpPBacillus subtilisPotency28.18381.995322.673039.8107AID651965
ATAD5 protein, partialHomo sapiens (human)Potency18.47820.004110.890331.5287AID504466; AID504467
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency22.38720.011212.4002100.0000AID1030
P53Homo sapiens (human)Potency70.79460.07319.685831.6228AID504706
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency25.11890.001815.663839.8107AID894
ras-related protein Rab-9AHomo sapiens (human)Potency2.51190.00022.621531.4954AID485297
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency17.78280.00419.962528.1838AID2675
relaxin receptor 1 isoform 1Homo sapiens (human)Potency15.84890.038814.350143.6206AID2676
Guanine nucleotide-binding protein GHomo sapiens (human)Potency35.48131.995325.532750.1187AID624287
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
major prion protein preproprotein Prp precursorHomo sapiens (human)IC50 (µMol)8.45200.93604.87428.4840AID743453
Mitogen-activated protein kinase 10Homo sapiens (human)IC50 (µMol)93.12000.00201.703510.0000AID1284
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (13)

Processvia Protein(s)Taxonomy
protein phosphorylationMitogen-activated protein kinase 10Homo sapiens (human)
signal transductionMitogen-activated protein kinase 10Homo sapiens (human)
JNK cascadeMitogen-activated protein kinase 10Homo sapiens (human)
response to light stimulusMitogen-activated protein kinase 10Homo sapiens (human)
Fc-epsilon receptor signaling pathwayMitogen-activated protein kinase 10Homo sapiens (human)
regulation of circadian rhythmMitogen-activated protein kinase 10Homo sapiens (human)
rhythmic processMitogen-activated protein kinase 10Homo sapiens (human)
cellular senescenceMitogen-activated protein kinase 10Homo sapiens (human)
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 (7)

Processvia Protein(s)Taxonomy
JUN kinase activityMitogen-activated protein kinase 10Homo sapiens (human)
MAP kinase kinase activityMitogen-activated protein kinase 10Homo sapiens (human)
protein bindingMitogen-activated protein kinase 10Homo sapiens (human)
ATP bindingMitogen-activated protein kinase 10Homo sapiens (human)
protein serine kinase activityMitogen-activated protein kinase 10Homo sapiens (human)
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 (6)

Processvia Protein(s)Taxonomy
nucleoplasmMitogen-activated protein kinase 10Homo sapiens (human)
cytoplasmMitogen-activated protein kinase 10Homo sapiens (human)
mitochondrionMitogen-activated protein kinase 10Homo sapiens (human)
cytosolMitogen-activated protein kinase 10Homo sapiens (human)
plasma membraneMitogen-activated protein kinase 10Homo sapiens (human)
nucleusMitogen-activated protein kinase 10Homo sapiens (human)
cytoplasmMitogen-activated protein kinase 10Homo sapiens (human)
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

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