Page last updated: 2024-12-10

1-(7-methyloctyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea

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

You're describing a chemical compound with a rather complex structure. While it's not a well-known compound with a specific name, its structure hints at its potential use in research, specifically in the realm of **pharmacology and medicinal chemistry**.

Here's a breakdown of why this compound could be interesting for research:

**1. Structural Features:**

* **Thiourea core:** The thiourea functional group is known for its ability to form hydrogen bonds, making it a common motif in drug discovery. It can interact with biological targets, affecting their function.
* **Aromatic ring:** The presence of a phenyl ring with a morpholinylsulfonyl substituent adds complexity to the molecule. This section can contribute to its pharmacological activity by interacting with specific protein receptors or enzymes.
* **Alkyl chain:** The long (7-methyloctyl) chain could influence how the molecule is absorbed and distributed in the body. This property is crucial for drug delivery and bioavailability.

**2. Potential Research Applications:**

* **Drug discovery:** The combination of these structural features suggests that this compound could possess pharmacological activity. Researchers might explore its potential as a:
* **Antimicrobial agent:** The thiourea group can be involved in inhibiting bacterial growth.
* **Anti-inflammatory agent:** The morpholinylsulfonyl group is often found in anti-inflammatory drugs.
* **Modulator of biological processes:** The compound could interact with specific enzymes or receptors, leading to the modulation of various cellular functions.
* **Materials science:** Thioureas are also known for their potential use in materials science, for example, as catalysts or for the development of new polymers.

**3. Further Research:**

To determine the specific research value of this compound, further investigation would be needed:

* **Synthesis:** The compound needs to be synthesized in the lab.
* **Characterization:** Its physical and chemical properties need to be characterized.
* **Biological activity:** Its effects on biological systems, such as cell cultures or animal models, need to be evaluated.
* **Optimization:** Once its potential applications are identified, the compound's structure can be further modified to improve its activity, selectivity, or stability.

**In short, while the exact purpose of this specific compound is unknown, its structural features suggest a potential role in drug discovery or materials science research. Further research is needed to understand its properties and potential applications.**

Cross-References

ID SourceID
PubMed CID4993758
CHEMBL ID1469709
CHEBI ID113223

Synonyms (10)

Synonym
smr000242991
MLS000402302
CHEBI:113223
1-(7-methyloctyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
AKOS000972693
HMS2543C14
CHEMBL1469709
1-(7-methyloctyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea
Q27193690
Z45833712
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
sulfonamideAn amide of a sulfonic acid RS(=O)2NR'2.
[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 (33)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency1.58490.003245.467312,589.2998AID2517
Chain A, Beta-lactamaseEscherichia coli K-12Potency3.54810.044717.8581100.0000AID485294
Chain A, ATP-DEPENDENT DNA HELICASE Q1Homo sapiens (human)Potency39.81070.125919.1169125.8920AID2549
Chain A, Ferritin light chainEquus caballus (horse)Potency50.11875.623417.292931.6228AID485281
glp-1 receptor, partialHomo sapiens (human)Potency3.54810.01846.806014.1254AID624417
phosphopantetheinyl transferaseBacillus subtilisPotency100.00000.141337.9142100.0000AID1490
ATAD5 protein, partialHomo sapiens (human)Potency10.32250.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency14.67770.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency25.11890.180013.557439.8107AID1468
Smad3Homo sapiens (human)Potency19.95260.00527.809829.0929AID588855
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency22.38720.011212.4002100.0000AID1030
PINK1Homo sapiens (human)Potency22.38722.818418.895944.6684AID624263
67.9K proteinVaccinia virusPotency11.29470.00018.4406100.0000AID720579; AID720580
ParkinHomo sapiens (human)Potency22.38720.819914.830644.6684AID624263
IDH1Homo sapiens (human)Potency23.10930.005210.865235.4813AID686970
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency0.89130.035520.977089.1251AID504332
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency20.59620.00419.984825.9290AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency35.48133.548119.542744.6684AID743266
huntingtin isoform 2Homo sapiens (human)Potency35.48130.000618.41981,122.0200AID1688
flap endonuclease 1Homo sapiens (human)Potency31.62280.133725.412989.1251AID588795
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency29.93490.168316.404067.0158AID720504
tumor susceptibility gene 101 proteinHomo sapiens (human)Potency39.81070.129810.833132.6090AID493005
DNA polymerase eta isoform 1Homo sapiens (human)Potency56.23410.100028.9256213.3130AID588591
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency22.38720.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency22.38720.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency22.38720.15855.287912.5893AID540303
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency22.38720.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency15.67580.004611.374133.4983AID624296; AID624297
survival motor neuron protein isoform dHomo sapiens (human)Potency7.94330.125912.234435.4813AID1458
lamin isoform A-delta10Homo sapiens (human)Potency31.62280.891312.067628.1838AID1487
neuropeptide S receptor isoform AHomo sapiens (human)Potency25.11890.015812.3113615.5000AID1461
Glycoprotein hormones alpha chainHomo sapiens (human)Potency10.00004.46688.344810.0000AID624291
Guanine nucleotide-binding protein GHomo sapiens (human)Potency28.18381.995325.532750.1187AID624287
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (18)

Processvia Protein(s)Taxonomy
G protein-coupled receptor signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of cell population proliferationGlycoprotein hormones alpha chainHomo sapiens (human)
hormone-mediated signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
regulation of signaling receptor activityGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of steroid biosynthetic processGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of cell migrationGlycoprotein hormones alpha chainHomo sapiens (human)
thyroid gland developmentGlycoprotein hormones alpha chainHomo sapiens (human)
luteinizing hormone secretionGlycoprotein hormones alpha chainHomo sapiens (human)
organ growthGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIGlycoprotein hormones alpha chainHomo sapiens (human)
negative regulation of organ growthGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone secretionGlycoprotein hormones alpha chainHomo sapiens (human)
thyroid hormone generationGlycoprotein hormones alpha chainHomo 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 (5)

Processvia Protein(s)Taxonomy
hormone activityGlycoprotein hormones alpha chainHomo sapiens (human)
protein bindingGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone activityGlycoprotein hormones alpha chainHomo 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
extracellular regionGlycoprotein hormones alpha chainHomo sapiens (human)
extracellular spaceGlycoprotein hormones alpha chainHomo sapiens (human)
Golgi lumenGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone complexGlycoprotein hormones alpha chainHomo sapiens (human)
pituitary gonadotropin complexGlycoprotein hormones alpha chainHomo sapiens (human)
extracellular spaceGlycoprotein hormones alpha chainHomo 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.
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
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]