Page last updated: 2024-12-09

1-(4-morpholinyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone

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 name. Let's break it down:

**1-(4-morpholinyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone**

* **1-(4-morpholinyl):** This indicates a morpholine ring (a six-membered ring containing oxygen and nitrogen) attached at the 1-position of the molecule.
* **2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone:** This is a more complex part.
* **2-benzimidazolyl:** This indicates a benzimidazole ring (a fused ring system with a benzene ring and an imidazole ring) attached at the 2-position.
* **1-benzimidazolyl:** This further specifies that the benzimidazole ring is attached at its 1-position.
* **2-(phenylmethylthio):** This means a phenylmethyl (benzyl) group is attached at the 2-position of the benzimidazole ring, with a sulfur atom (thio) connecting them.
* **ethanone:** This means a ketone group (C=O) is attached to the molecule, specifically at the 2-position.

**Overall Structure:** The molecule is likely a derivative of benzimidazole with a morpholine group, a benzylthio group, and a ketone function.

**Importance in Research:**

Given the complexity of the compound, it's likely to be a synthetic organic compound created for research purposes. Here's why this type of molecule could be of interest:

* **Pharmacology:** Benzimidazole derivatives are known for their biological activity. They've been used in various drugs, including antiparasitic agents, antiulcer drugs, and anticancer agents. The specific combination of functional groups in this molecule could be explored for its potential to interact with biological targets.
* **Materials Science:** The presence of the sulfur atom could indicate potential use in materials science. Sulfur-containing compounds can be used to create conductive polymers, photochromic materials, and other interesting materials.
* **Synthesis:** The molecule itself might be a precursor for other complex compounds, making it useful in synthetic chemistry research.

**To know more about its specific importance, you would need:**

* **Context:** Where did you encounter this compound (research paper, patent, etc.)?
* **Research Aim:** What was the specific research goal for which this compound was synthesized or studied?

If you provide more information, I can provide a more specific answer regarding its importance.

Cross-References

ID SourceID
PubMed CID1089009
CHEMBL ID1595703
CHEBI ID121809

Synonyms (16)

Synonym
smr000122493
MLS000067937 ,
2-(2-benzylsulfanyl-benzoimidazol-1-yl)-1-morpholin-4-yl-ethanone
CHEBI:121809
2-(2-benzylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
2-[2-(benzylsulfanyl)-1h-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one
mfcd03942465
AKOS001682449
HMS2355G19
CHEMBL1595703
bdbm53732
1-morpholin-4-yl-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanone
cid_1089009
2-[2-(benzylthio)benzimidazol-1-yl]-1-morpholino-ethanone
1-(4-morpholinyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone
Q27210381
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzimidazolesAn organic heterocyclic compound containing a benzene ring fused to an imidazole ring.
[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 (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
LuciferasePhotinus pyralis (common eastern firefly)Potency26.85450.007215.758889.3584AID588342
ATAD5 protein, partialHomo sapiens (human)Potency12.99530.004110.890331.5287AID504467
Smad3Homo sapiens (human)Potency12.58930.00527.809829.0929AID588855
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency10.00000.00798.23321,122.0200AID2551
Guanine nucleotide-binding protein GHomo sapiens (human)Potency3.54811.995325.532750.1187AID624287
[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)
M1-family alanyl aminopeptidasePlasmodium falciparum 3D7IC50 (µMol)48.66002.600048.1803128.9800AID1445
[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
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.
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.
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.
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]