The compound you described, **1-(2,3-dihydroindol-1-yl)-2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]ethanone**, is a complex organic molecule with a potentially interesting pharmacological profile.
Here's why it might be important for research:
* **Structure and Components:**
* It contains several pharmacologically relevant moieties:
* **Dihydroindole:** A core structure found in various psychoactive drugs and antidepressants.
* **Triazoloisoquinoline:** A scaffold often associated with anticancer and anti-inflammatory activity.
* **Thioether linkage:** This linkage can influence the compound's bioavailability and interaction with biological targets.
* **Potential Biological Activity:**
* The combination of these moieties suggests potential for activity in various areas:
* **CNS activity:** The dihydroindole group could interact with neurotransmitter receptors, potentially leading to effects on mood, cognition, or behavior.
* **Anti-cancer properties:** The triazoloisoquinoline unit could interact with cell signaling pathways involved in cancer development and growth.
* **Anti-inflammatory effects:** The compound might inhibit inflammation by targeting specific enzymes or receptors.
* **Research Implications:**
* This molecule could be a starting point for:
* **Drug discovery:** Synthesizing and testing analogues to optimize biological activity and identify promising drug candidates.
* **Mechanism of action studies:** Investigating how the compound interacts with biological targets and elucidating its specific pharmacological profile.
**Important Note:** This is a theoretical assessment based on the compound's structure and known properties of its constituent moieties. Without specific research data on its biological activity, it's impossible to conclusively state its importance or applications.
**To understand its actual significance, you would need to consult scientific publications or databases that might have experimental data on this particular compound or related structures.**
ID Source | ID |
---|---|
PubMed CID | 644775 |
CHEMBL ID | 1341089 |
CHEBI ID | 121471 |
Synonym |
---|
smr000002038 |
MLS000072694 , |
ASN 03155338 , |
1-(2,3-dihydro-indol-1-yl)-2-(5,5-dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanyl)-ethanone |
CHEBI:121471 |
AKOS000736864 |
1-(2,3-dihydroindol-1-yl)-2-[(5,5-dimethyl-6h-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]ethanone |
MLS002534627 |
HMS2416H23 |
1-(2,3-dihydroindol-1-yl)-2-[(5,5-dimethyl-6h-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]ethanone |
2-[(5,5-dimethyl-6h-[1,2,4]triazol[3,4-a]isoquinolin-3-yl)thio]-1-indolin-1-yl-ethanone |
bdbm75955 |
cid_644775 |
CHEMBL1341089 |
Q27210021 |
Class | Description |
---|---|
triazolopyridine | |
[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) |
---|---|---|---|---|---|---|---|
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 1.2589 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 18.3564 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 26.1011 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 1.5849 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 28.1838 | 0.0018 | 15.6638 | 39.8107 | AID894 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 11.2202 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
[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) |
---|---|---|---|---|---|---|---|
photoreceptor-specific nuclear receptor | Homo sapiens (human) | IC50 (µMol) | 4.4230 | 0.0374 | 2.9340 | 8.9620 | AID463256 |
nuclear receptor corepressor 2 isoform 2 | Homo sapiens (human) | IC50 (µMol) | 7.9530 | 1.0250 | 4.3611 | 9.9550 | AID463257 |
peroxisome proliferator-activated receptor gamma isoform 2 | Homo sapiens (human) | IC50 (µMol) | 7.9530 | 1.0250 | 4.3611 | 9.9550 | AID463257 |
[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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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] |