INDY : A member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and hydroxy groups at positions 2, 3 and 5, respectively. It is an ATP-competitive inhibitor of Dyrk1A and Dyrk1B (IC50 of 0.24 muM and 0.23 muM, respectively). [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]
| ID Source | ID |
|---|---|
| PubMed CID | 44136031 |
| CHEMBL ID | 1232500 |
| CHEBI ID | 195332 |
| SCHEMBL ID | 4011674 |
| Synonym |
|---|
| CHEMBL1232500 , |
| (1z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3h)-ylidene)propan-2-one |
| SCHEMBL4011674 |
| 1169755-45-6 |
| CHEBI:195332 |
| (1z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one |
| indy |
| BRD-K97569673-001-01-7 |
| bdbm50445253 |
| AKOS032949709 |
| HY-108476 |
| CS-0028909 |
| AS-16632 |
| NCGC00402322-05 |
| 1-(3-ETHYL-5-HYDROXYBENZO[D]THIAZOL-2(3H)-YLIDENE)PROPAN-2-ONE |
| (z)-1-(3-ethyl-5-hydroxybenzo[d]thiazol-2(3h)-ylidene)propan-2-one |
| NCGC00402322-04 |
| Q27459944 |
| 1-[(2z)-3-ethyl-5-hydroxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]propan-2-one |
| EX-A6832 |
| Excerpt | Reference | Relevance |
|---|---|---|
| "The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs." | ( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019) | 0.51 |
| Role | Description |
|---|---|
| antineoplastic agent | A substance that inhibits or prevents the proliferation of neoplasms. |
| drug metabolite | null |
| EC 2.7.12.1 (dual-specificity kinase) inhibitor | An EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor that inhibits the action of dual-specificity kinase (EC 2.7.12.1). |
| [role 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] | |
| Class | Description |
|---|---|
| benzothiazoles | |
| organic hydroxy compound | An organic compound having at least one hydroxy group attached to a carbon atom. |
| enone | An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position. |
| [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 | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) | IC50 (µMol) | 0.2400 | 0.0031 | 0.7140 | 9.0120 | AID1062364; AID1237107; AID1420039 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| cytoskeleton | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) |
| nucleus | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) |
| nucleus | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) |
| nucleoplasm | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) |
| cytoplasm | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) |
| nuclear speck | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) |
| axon | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) |
| dendrite | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) |
| ribonucleoprotein complex | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1420039 | Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus expression system after 10 mins in presence of [gamma33P-ATP] by liquid scintillation counting analysis | 2018 | Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22 | Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase 1A (DYRK1A) Inhibitors as Potential Therapeutics. |
| AID1062364 | Competitive inhibition of DYRK1A (unknown origin) using ATP | 2013 | Journal of medicinal chemistry, Dec-12, Volume: 56, Issue:23 | Development of DANDYs, new 3,5-diaryl-7-azaindoles demonstrating potent DYRK1A kinase inhibitory activity. |
| AID1237107 | Inhibition of Dyrk1A (unknown origin) | 2015 | Bioorganic & medicinal chemistry letters, Aug-01, Volume: 25, Issue:15 | Meridianin derivatives as potent Dyrk1A inhibitors and neuroprotective agents. |
| 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 | 0 (0.00) | 29.6817 |
| 2010's | 5 (83.33) | 24.3611 |
| 2020's | 1 (16.67) | 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 very strong demand-to-supply ratio for research on this compound.
| This Compound (128.56) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (16.67%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 5 (83.33%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||