The chemical name you provided, **1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide**, is a mouthful! It's actually a very specific chemical compound with a complex structure.
While I can't tell you exactly why it's important for research without more information, I can give you a breakdown of its structure and potential applications:
**Structure Breakdown:**
* **1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]** This portion indicates a large, complex molecule with multiple rings. It includes:
* A **thienopyrrole** ring system (thieno[3,2-b]pyrrolyl). Thienopyrroles are often used in pharmaceuticals due to their ability to interact with biological targets.
* A **fluorophenyl** group, which is a benzene ring with a fluorine atom attached. This group can influence the compound's properties.
* **An oxomethyl** group (C=O). This functional group is often involved in bonding interactions.
* **N-(2-furanylmethyl)-4-piperidinecarboxamide** This portion indicates:
* A **piperidine** ring, a common structure found in many drugs.
* A **furanylmethyl** group, which is a furan ring attached to a methylene group.
* A **carboxamide** group (-CONH-), which can be involved in hydrogen bonding and is often found in drugs.
**Potential Importance in Research:**
Based on its structure, this compound might be interesting for research due to its:
* **Diverse chemical structure:** The combination of various rings and functional groups offers opportunities for tailoring its properties for specific applications.
* **Potential biological activity:** The presence of thienopyrrole, piperidine, and carboxamide suggests potential interactions with biological targets, making it a candidate for pharmaceutical research.
* **Potential for medicinal chemistry optimization:** Researchers could modify this compound's structure to create new molecules with improved efficacy or better safety profiles.
**To get a better understanding of this compound's importance:**
* **Look for published research:** Try searching online databases like PubMed or Google Scholar for papers that mention this compound's name or its chemical structure.
* **Context is key:** Find out where you encountered this chemical name. Was it in a research paper, a patent, or a chemical database? The context will provide valuable clues about its purpose.
* **Seek expert advice:** If you need a detailed explanation, you can consult a chemist or medicinal chemist with expertise in drug discovery and development.
Remember, without further context, it's impossible to definitively say why this particular chemical compound is important for research. However, its complex structure and potential for biological activity make it a promising candidate for exploration in the field of drug discovery.
ID Source | ID |
---|---|
PubMed CID | 3240671 |
CHEMBL ID | 1521190 |
CHEBI ID | 120429 |
SCHEMBL ID | 13292974 |
Synonym |
---|
MLS000093520 |
smr000029138 |
1-{[4-(4-fluorobenzyl)-4h-thieno[3,2-b]pyrrol-5-yl]carbonyl}-n-(2-furylmethyl)piperidine-4-carboxamide |
MLS001073684 |
MLS000863497 |
CHEBI:120429 |
1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-n-(furan-2-ylmethyl)piperidine-4-carboxamide |
HMS2488N06 |
ksc-290-12-2 |
KUC110582N |
CCG-32091 |
CHEMBL1521190 |
AKOS022047787 |
1-{4-[(4-fluorophenyl)methyl]-4h-thieno[3,2-b]pyrrole-5-carbonyl}-n-[(furan-2-yl)methyl]piperidine-4-carboxamide |
SCHEMBL13292974 |
1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-n-(2-furanylmethyl)-4-piperidinecarboxamide |
Q27208271 |
Class | Description |
---|---|
N-acylpiperidine | |
[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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 25.1189 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 39.8107 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 10.0000 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 44.6684 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 24.8446 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 26.1011 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 39.8107 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 4.4668 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 19.9526 | 0.0013 | 18.0743 | 39.8107 | AID926 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 12.5893 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 44.6684 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
alpha-galactosidase | Homo sapiens (human) | Potency | 50.1187 | 4.4668 | 18.3916 | 35.4813 | AID1467 |
IDH1 | Homo sapiens (human) | Potency | 14.1254 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 39.8107 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 12.5893 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
ubiquitin carboxyl-terminal hydrolase 2 isoform a | Homo sapiens (human) | Potency | 7.9433 | 0.6561 | 9.4520 | 25.1189 | AID927 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 35.4813 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 12.5893 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 25.1189 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 6.3096 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 13.0595 | 1.9953 | 25.5327 | 50.1187 | AID624287; AID624288 |
Disintegrin and metalloproteinase domain-containing protein 17 | Homo sapiens (human) | Potency | 7.9433 | 1.5849 | 13.0043 | 25.1189 | AID927 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 2.8184 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID1055015 | Antiviral activity against Western equine encephalomyelitis virus infected in human BE(2)-C cells assessed as inhibition of viral RNA replication after 18 to 20 hrs by luciferase reporter gene assay | 2013 | Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22 | Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. |
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (16.67) | 29.6817 |
2010's | 4 (66.67) | 24.3611 |
2020's | 1 (16.67) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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.
| This Compound (12.35) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 6 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |