The compound you described, 1-[4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone, is a complex organic molecule. Its chemical structure is characterized by:
* **A cyclopenta[c]quinoline core:** This is a fused ring system containing a quinoline (a nitrogen-containing heterocycle) and a cyclopentane ring.
* **A 1,3-benzodioxole substituent:** This is a substituted benzene ring containing an oxygen-containing heterocycle.
* **A bromo group:** This is a bromine atom attached to the 1,3-benzodioxole ring.
* **An acetyl group:** This is a carbonyl group (C=O) attached to a methyl group (CH3), and it is attached to the cyclopenta[c]quinoline core.
**Why is this compound important for research?**
Without specific context, it's impossible to definitively state the exact significance of this compound. However, given its complex structure, it could be relevant in several research areas:
* **Drug Discovery:** The compound's structure suggests it might possess biological activity. Researchers often modify existing molecules to create new compounds with potential therapeutic effects.
* **Material Science:** The rigid structure and potential for interactions with other molecules could make it interesting for materials development.
* **Organic Chemistry:** Its synthesis and characterization could be a subject of research in organic chemistry, particularly in exploring the reactivity of the various functional groups.
**To find out more about its importance, you would need to:**
* **Know the context of the research:** What is the overall goal of the research project?
* **Search scientific databases:** Use keywords like cyclopenta[c]quinoline, benzodioxole, and the compound's name to find relevant publications.
Let me know if you have additional information about the research context!
ID Source | ID |
---|---|
PubMed CID | 3136849 |
CHEMBL ID | 1434839 |
CHEBI ID | 123624 |
SCHEMBL ID | 12700947 |
Synonym |
---|
EU-0081217 |
UNM000011069001 |
smr001227330 |
MLS001242405 |
1-[(3ar,4s,9bs)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinolin-8-yl]-ethanone |
g-1 |
CHEBI:123624 |
881639-98-1 |
1-[4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinolin-8-yl]ethanone |
HMS2225M10 |
AKOS025295869 |
SCHEMBL12700947 |
CHEMBL1434839 |
1-[4-(6-bromo-2h-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinolin-8-yl]ethan-1-one |
DTXSID10389691 |
Q27213357 |
g 1; g1 |
BCP31708 |
HMS3743I15 |
gpr30 inhibitor g1 |
syn-1-[4-(6-bromobenzo[1,3] dioxol-5yl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinolin-8-yl]-ethanone |
Class | Description |
---|---|
quinolines | A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
glp-1 receptor, partial | Homo sapiens (human) | Potency | 3.9811 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ClpP | Bacillus subtilis | Potency | 12.5893 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
TDP1 protein | Homo sapiens (human) | Potency | 4.1367 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 25.1189 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
67.9K protein | Vaccinia virus | Potency | 1.9514 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
IDH1 | Homo sapiens (human) | Potency | 5.8048 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 3.1623 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.1623 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 79.4328 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 1.2589 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
plasminogen precursor | Mus musculus (house mouse) | Potency | 1.2589 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 1.2589 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 19.9526 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
geminin | Homo sapiens (human) | Potency | 7.8458 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | Potency | 3.1623 | 0.0580 | 10.6949 | 26.6086 | AID602310 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
POsterior Segregation | Caenorhabditis elegans | EC50 (µMol) | 300.0000 | 2.2010 | 47.1808 | 186.6810 | AID1964 |
Sodium-dependent noradrenaline transporter | Homo sapiens (human) | EC50 (µMol) | 300.0000 | 0.0820 | 31.0243 | 168.9080 | AID1960 |
Zinc finger protein mex-5 | Caenorhabditis elegans | EC50 (µMol) | 300.0000 | 0.0820 | 33.5679 | 168.9080 | AID1960 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
cell surface | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
membrane | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
neuronal cell body membrane | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
presynaptic membrane | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
plasma membrane | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
axon | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | |||
[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 (14.29) | 29.6817 |
2010's | 4 (57.14) | 24.3611 |
2020's | 2 (28.57) | 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 (12.22) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |