You're describing a chemical compound that is likely a **synthetic analog** of **tacrine**, a drug used in the treatment of **Alzheimer's disease**.
**Here's a breakdown:**
* **1-[5-(2-amino-5-methyl-4-thiazolyl)-2,3-dihydroindol-1-yl]-1-butanone** is a long and complex chemical name. It's a **systematic name** that tells us about the structure of the molecule.
* **Tacrine** is a cholinesterase inhibitor that was one of the first drugs approved for the treatment of Alzheimer's disease.
* **Synthetic analogs** are molecules that are similar in structure to a known active compound, but with slight modifications. These modifications can lead to changes in the compound's activity, selectivity, or other properties.
**Why is this compound important for research?**
1. **Understanding Alzheimer's Disease:** Researching analogs of tacrine helps scientists understand the molecular mechanisms of Alzheimer's disease and the role of cholinesterase inhibition in treating it.
2. **Developing New Treatments:** By modifying the structure of tacrine, researchers can create new drugs with improved efficacy, fewer side effects, or different mechanisms of action.
3. **Exploring Structure-Activity Relationships:** Studying the effects of different modifications on the activity of tacrine analogs helps researchers understand the structure-activity relationship of the drug. This knowledge can guide the design of even more effective treatments.
**It's important to note:** The compound you described is just one example of a synthetic analog of tacrine. There are many others, and research continues to explore new ways to develop and improve drugs for Alzheimer's disease.
ID Source | ID |
---|---|
PubMed CID | 655441 |
CHEMBL ID | 1530938 |
CHEBI ID | 114833 |
Synonym |
---|
smr000000694 |
MLS000034498 , |
ASN 09627000 |
1-[5-(2-amino-5-methyl-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-butan-1-one |
CHEBI:114833 |
ZINC04091989 |
AKOS000704174 |
1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one |
HMS2335C11 |
1-[5-(2-azanyl-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one |
cid_655441 |
1-[5-(2-amino-5-methyl-thiazol-4-yl)indolin-1-yl]butan-1-one |
bdbm89551 |
1-[5-(2-amino-5-methyl-4-thiazolyl)-2,3-dihydroindol-1-yl]-1-butanone |
CHEMBL1530938 |
Q27196350 |
sr-01000331493 |
SR-01000331493-1 |
842110-52-5 |
1-(5-(2-amino-5-methylthiazol-4-yl)indolin-1-yl)butan-1-one |
Class | Description |
---|---|
indoles | Any compound containing an indole skeleton. |
[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, HADH2 protein | Homo sapiens (human) | Potency | 21.4865 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 21.4865 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 13.9222 | 0.0072 | 15.7588 | 89.3584 | AID411; AID588342 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 1.4125 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
BRCA1 | Homo sapiens (human) | Potency | 7.0795 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 15.4706 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 50.1187 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 35.4813 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 39.8107 | 0.0013 | 18.0743 | 39.8107 | AID926 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 4.4668 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
glucocerebrosidase | Homo sapiens (human) | Potency | 39.8107 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
P53 | Homo sapiens (human) | Potency | 3.5481 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 39.8107 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 5.6234 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 5.6234 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 35.4813 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.1623 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 5.6234 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 5.6234 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 3.9811 | 1.0000 | 10.4756 | 28.1838 | AID901 |
[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) |
---|---|---|---|---|---|---|---|
corticotropin-releasing hormone receptor 2 | Homo sapiens (human) | IC50 (µMol) | 47.1000 | 0.3680 | 7.0955 | 18.0000 | AID602180 |
corticotropin releasing factor-binding protein | Homo sapiens (human) | IC50 (µMol) | 47.1000 | 0.3680 | 7.0955 | 18.0000 | AID602180 |
[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) |
---|---|---|---|---|---|---|---|
alternatively spliced Trp4 | Mus musculus (house mouse) | EC50 (µMol) | 0.3760 | 0.0003 | 3.3370 | 10.5907 | AID434937 |
corticotropin-releasing hormone receptor 2 | Homo sapiens (human) | EC50 (µMol) | 53.0000 | 1.1200 | 11.5617 | 36.8000 | AID602473 |
corticotropin releasing factor-binding protein | Homo sapiens (human) | EC50 (µMol) | 53.0000 | 1.1200 | 11.5617 | 36.8000 | AID602473 |
[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) |
---|---|---|---|---|---|---|---|
FAD-linked sulfhydryl oxidase ALR | Homo sapiens (human) | AC50 | 0.1490 | 0.0050 | 3.2126 | 22.7870 | AID493248 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID651635 | Viability Counterscreen for 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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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] |
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] |