Page last updated: 2024-12-09

(2S)-3-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid

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

You're asking about a molecule with a very specific chemical structure and name. It's likely that you're referring to a compound that is related to the **synthesis and activity of the natural product (-)-epibatidine**.

**(-)-Epibatidine** is a potent analgesic, meaning it is a pain-relieving compound. It is found in the skin of the **Ecuadorian poison dart frog** (*Epipedobates tricolor*). Its structure includes a **tetrahydronaphthalene ring system** similar to the one you mentioned.

**Let's break down the name you provided:**

* **(2S):** This designates the stereochemistry at the second carbon atom of the molecule. (S) means that the molecule has a specific spatial arrangement of atoms, and the 2 tells you which carbon it's referring to.
* **3-methyl:** This indicates there is a methyl group (CH3) attached to the third carbon atom of the molecule.
* **2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]:** This is a complex part of the name that describes a portion of the molecule. It indicates a specific arrangement of atoms including a tetrahydronaphthalene ring, an amino group (NH2), a carbonyl group (C=O), and a methylene bridge (CH2).
* **pentanoic acid:** This indicates a five-carbon chain with a carboxylic acid group (COOH) at one end.

**Why is this important for research?**

* **Pain management:** (-)-Epibatidine is a powerful analgesic, but it has several side effects that make it unsuitable for clinical use. Researchers are trying to understand its mechanism of action and modify its structure to create **safer and more effective pain medications.**
* **Drug discovery:** The complex structure of (-)-Epibatidine and its potent activity inspire researchers to design new drugs with similar effects. The molecule you described might be a synthetic analog or intermediate in the development of such drugs.

**In summary:** The compound you described is likely related to the study of (-)-epibatidine, a potent analgesic with complex structure. This area of research is important for developing new pain medications and understanding the chemical basis of pain relief.

**Important Note:** Without further context or information, it is difficult to definitively state the exact importance of this particular compound. It is possible that it is a specific synthetic intermediate or analog that has been used in a particular research project, but it's not a widely known or documented compound.

Cross-References

ID SourceID
PubMed CID663634
CHEMBL ID1418063
CHEBI ID123249

Synonyms (10)

Synonym
smr000044389
MLS000042140
CHEBI:123249
(2s)-3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pentanoic acid
AKOS005495935
HMS2462B17
STK570567
CHEMBL1418063
Q27212943
(2s)-3-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
isoleucine derivativeAn amino acid derivative resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of isoleucine by a heteroatom. The definition normally excludes peptides containing isoleucine residues.
[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 (3)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
importin subunit beta-1 isoform 1Homo sapiens (human)Potency4.61095.804836.130665.1308AID540253
snurportin-1Homo sapiens (human)Potency4.61095.804836.130665.1308AID540253
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency4.61095.804816.996225.9290AID540253
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
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]