The compound you described, **1-[4-[4-[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone**, is a complex organic molecule. Its importance lies in its potential as a **lead compound for the development of new drugs**.
Here's a breakdown of the structure and potential implications:
**Structure:**
* **Core:** The core of the molecule consists of a quinoline ring (a fused benzene and pyridine ring system) with a pyridine substituent.
* **Functional Groups:** It also contains a ketone group (C=O), a bromine atom, a piperazine ring, and an ethanone (acetyl) group.
**Potential Pharmaceutical Applications:**
* **Target Binding:** The specific arrangement of functional groups in this molecule suggests it could interact with biological targets, particularly proteins.
* **Lead Compound:** This molecule might act as a lead compound for developing new drugs that target specific pathways or receptors.
* **Pharmacological Activity:** Depending on its target and mode of action, this molecule could exhibit various pharmacological activities, such as:
* **Anti-inflammatory:** Its structure resembles some known anti-inflammatory drugs.
* **Anti-cancer:** Quinoline derivatives have been explored for anti-cancer activity.
* **Anti-bacterial:** The presence of a pyridine ring can contribute to antibacterial properties.
**Research Importance:**
* **Structure-Activity Relationship Studies:** Researchers can modify this molecule by altering its functional groups to understand how these changes affect its activity and binding properties.
* **Drug Discovery:** This molecule serves as a starting point for designing and synthesizing new drug candidates.
* **Biological Evaluation:** Researchers would need to evaluate its biological activity in vitro and in vivo to assess its therapeutic potential.
**Note:**
* This molecule is a hypothetical compound. It's highly unlikely to be an established drug, as the research into its properties and potential uses is ongoing.
* The specific target, activity, and safety of this compound require further investigation and experimental validation.
In conclusion, while the full scope of this molecule's potential is yet to be determined, its unique structure and potential for pharmacological activity make it an important subject of research in drug discovery and development.
ID Source | ID |
---|---|
PubMed CID | 2965779 |
CHEMBL ID | 1603166 |
CHEBI ID | 120987 |
Synonym |
---|
1-[4-(4-{[6-bromo-2-(3-pyridinyl)-4-quinolinyl]carbonyl}-1-piperazinyl)phenyl]ethanone |
MLS000672596 |
smr000295466 |
1-[4-(4-{[6-bromo-2-(pyridin-3-yl)quinolin-4-yl]carbonyl}piperazin-1-yl)phenyl]ethanone |
STK459920 |
CHEBI:120987 |
1-[4-[4-(6-bromo-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]phenyl]ethanone |
AKOS003346302 |
HMS2721L18 |
CHEMBL1603166 |
1-[4-[4-[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone |
Q27209219 |
Class | Description |
---|---|
aromatic ketone | A ketone in which the carbonyl group is attached to an aromatic 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) |
---|---|---|---|---|---|---|---|
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 10.6910 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 0.1000 | 20.8793 | 79.4328 | AID588456 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 16.3535 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 18.3564 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 28.1838 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 0.6310 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
geminin | Homo sapiens (human) | Potency | 29.0929 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 4.4668 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 3.9811 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 89.1251 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
guanyl-nucleotide exchange factor activity | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein domain specific binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
cAMP binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
cortical actin cytoskeleton | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
plasma membrane | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
microvillus | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
endomembrane system | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
membrane | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
lamellipodium | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
filopodium | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
extracellular exosome | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
[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 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |