2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione is a complex organic molecule. It's important to understand its properties and significance based on its chemical structure:
**Structure and Properties:**
* **Benzo[de]isoquinoline-1,3-dione core:** This is the fundamental structure, a fused ring system with a dilactam unit. These structures are known for their potential biological activities, particularly as inhibitors of enzymes and protein interactions.
* **3-hydroxyphenyl substituent:** The presence of a hydroxyl group on the phenyl ring introduces a potential for hydrogen bonding and interaction with biological targets.
* **1-piperidinyl substituent:** This group is a heterocyclic amine, likely contributing to the molecule's potential to bind to receptors or enzymes.
**Importance in Research:**
Given the structure, this compound is likely being investigated for its **biological activity**, especially as a potential:
* **Pharmacological agent:** The molecule might exhibit activity against specific diseases or conditions. The presence of the hydroxyl group and the heterocyclic amine suggest potential for binding to proteins or receptors involved in various biological processes.
* **Enzyme inhibitor:** The dilactam unit and other functional groups could interact with the active sites of enzymes, inhibiting their activity. This has implications for drug development, potentially leading to treatments for diseases related to specific enzyme dysregulation.
* **Probe molecule:** The complex structure and potential binding properties make this compound a potential tool to study specific biological targets, leading to further understanding of biological mechanisms.
**Additional Information:**
To fully understand the importance of 2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione, we need more information:
* **Specific biological target:** Which specific enzyme or receptor is this compound being investigated for?
* **Biological activity:** Does it show any promising activity in preclinical studies?
* **Research area:** What research field is this compound relevant to (e.g., cancer, neurology, infectious disease)?
Once this information is available, a more accurate and detailed assessment of the compound's importance in research can be made.
ID Source | ID |
---|---|
PubMed CID | 2937718 |
CHEMBL ID | 1586067 |
CHEBI ID | 113239 |
Synonym |
---|
smr000299361 |
MLS000676645 , |
2-(3-hydroxyphenyl)-6-(1-piperidinyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione |
OPREA1_839727 |
CHEBI:113239 |
AKOS001649125 |
HMS2669C06 |
2-(3-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione |
STL329220 |
2-(3-hydroxyphenyl)-6-(piperidin-1-yl)-1h-benzo[de]isoquinoline-1,3(2h)-dione |
CHEMBL1586067 |
bdbm79711 |
2-(3-hydroxyphenyl)-6-piperidino-benzo[de]isoquinoline-1,3-quinone |
2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione |
2-(3-hydroxyphenyl)-6-piperidin-1-yl-benzo[de]isoquinoline-1,3-dione |
cid_2937718 |
Q27193707 |
sr-01000469802 |
SR-01000469802-1 |
Class | Description |
---|---|
isoquinolines | A class of organic heteropolycyclic compound consisting of isoquinoline and its substitution derivatives. |
[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, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 8.9125 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 19.0115 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
USP1 protein, partial | Homo sapiens (human) | Potency | 31.6228 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
TDP1 protein | Homo sapiens (human) | Potency | 19.7077 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 7.0795 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 8.9125 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
isocitrate dehydrogenase 1, partial | Homo sapiens (human) | Potency | 50.1187 | 6.3096 | 27.0990 | 79.4328 | AID602179 |
67.9K protein | Vaccinia virus | Potency | 11.2202 | 0.0001 | 8.4406 | 100.0000 | AID720580 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 17.7828 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 2.9093 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 25.1189 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
transcriptional regulator ERG isoform 3 | Homo sapiens (human) | Potency | 35.4813 | 0.7943 | 21.2757 | 50.1187 | AID624246 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 7.9433 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 33.9972 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 39.8107 | 0.1337 | 25.4129 | 89.1251 | AID588795 |
ubiquitin carboxyl-terminal hydrolase 2 isoform a | Homo sapiens (human) | Potency | 10.0000 | 0.6561 | 9.4520 | 25.1189 | AID463254 |
eyes absent homolog 2 isoform a | Homo sapiens (human) | Potency | 31.6228 | 1.1998 | 14.6419 | 50.1187 | AID488837 |
snurportin-1 | Homo sapiens (human) | Potency | 33.9972 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
histone-lysine N-methyltransferase 2A isoform 2 precursor | Homo sapiens (human) | Potency | 5.0119 | 0.0103 | 23.8567 | 63.0957 | AID2662 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 75.6863 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
tumor susceptibility gene 101 protein | Homo sapiens (human) | Potency | 56.2341 | 0.1298 | 10.8331 | 32.6090 | AID493005 |
GTP-binding nuclear protein Ran isoform 1 | Homo sapiens (human) | Potency | 39.8107 | 5.8048 | 16.9962 | 25.9290 | AID540253 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 20.3865 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 10.0000 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
geminin | Homo sapiens (human) | Potency | 17.3457 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 15.8489 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | Potency | 4.1082 | 0.0580 | 10.6949 | 26.6086 | AID602310; AID651813 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 3.9177 | 0.0259 | 11.2398 | 31.6228 | AID602313; AID651814; AID651815 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 37.6188 | 6.3096 | 60.2008 | 112.2020 | AID720707; AID720709 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 28.1838 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 89.7164 | 3.9811 | 46.7448 | 112.2020 | AID720708; AID720711 |
[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) |
---|---|---|---|---|---|---|---|
toll-like receptor 9 | Homo sapiens (human) | IC50 (µMol) | 5.4060 | 1.8690 | 5.4371 | 9.2420 | AID588340 |
Beta lactamase (plasmid) | Pseudomonas aeruginosa | IC50 (µMol) | 5.2390 | 0.7091 | 5.0549 | 7.7510 | AID588341 |
[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) |
---|---|---|---|---|---|---|---|
cardiac alpha tropomyosin | Sus scrofa (pig) | EC50 (µMol) | 1.8300 | 1.8300 | 2.3740 | 2.9180 | AID504698 |
troponin I, cardiac muscle | Homo sapiens (human) | EC50 (µMol) | 1.8300 | 1.8300 | 2.3740 | 2.9180 | AID504698 |
troponin T, cardiac muscle isoform 3 | Homo sapiens (human) | EC50 (µMol) | 1.8300 | 1.8300 | 2.3740 | 2.9180 | AID504698 |
troponin C, slow skeletal and cardiac muscles | Homo sapiens (human) | EC50 (µMol) | 1.8300 | 1.8300 | 2.3740 | 2.9180 | AID504698 |
[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) |
---|---|---|---|---|---|---|---|
cystic fibrosis transmembrane conductance regulator ATP-binding cassette sub-family C member 7 | Homo sapiens (human) | AC50 | 24.3100 | 0.0398 | 15.0025 | 50.0000 | AID743267 |
LANA | Human gammaherpesvirus 8 | AC50 | 81.5210 | 0.0420 | 32.4569 | 312.0010 | AID504726 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
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. |
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. |
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. |
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. |
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] |