| ID Source | ID |
|---|---|
| PubMed CID | 12315418 |
| CHEMBL ID | 1471595 |
| CHEBI ID | 182322 |
| Synonym |
|---|
| [5-chloranyl-3-[(1e,3e)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] ethanoate |
| CHEBI:182322 |
| [5-chloro-3-[(1e,3e)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate |
| ACON0_000626 |
| MEGXM0_000196 |
| MLS000876804 , |
| smr000440572 |
| ACON1_000624 |
| NCGC00168901-01 |
| BRD-A71402194-001-01-3 |
| HMS2269N11 |
| CHEMBL1471595 |
| REGID_FOR_CID_12315418 |
| cid_12315418 |
| acetic acid [5-chloro-3-[(1e,3e)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester |
| bdbm51741 |
| acetic acid [5-chloro-3-[(1e,3e)-3,5-dimethylhepta-1,3-dienyl]-6,8-diketo-7-methyl-isochromen-7-yl] ester |
| ncgc00168901-03![5-chloro-3-[(1e,3e)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate |
| NCGC00168901-04 |
| BS-1405 |
| 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 |
| Class | Description |
|---|---|
| azaphilone | Any member of a family of natural products which contains a 6H-isochromene-6,8(7H)-dione or an isoquinoline-6,8(2H,7H)-dione skeleton and its substituted derivatives thereof. |
| [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, Beta-lactamase | Escherichia coli K-12 | Potency | 39.8107 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
| Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 35.4813 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
| Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 28.1838 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
| Luciferase | Photinus pyralis (common eastern firefly) | Potency | 21.3313 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
| glp-1 receptor, partial | Homo sapiens (human) | Potency | 7.0795 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
| USP1 protein, partial | Homo sapiens (human) | Potency | 44.6684 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
| TDP1 protein | Homo sapiens (human) | Potency | 21.8369 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| Microtubule-associated protein tau | Homo sapiens (human) | Potency | 11.2202 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
| Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
| apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 35.4813 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 25.1189 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
| alpha-galactosidase | Homo sapiens (human) | Potency | 50.1187 | 4.4668 | 18.3916 | 35.4813 | AID1467 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 31.6228 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
| parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 44.6684 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
| importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 56.2307 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
| mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 22.3872 | 0.0398 | 16.7842 | 39.8107 | AID1454 |
| snurportin-1 | Homo sapiens (human) | Potency | 56.2307 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
| GTP-binding nuclear protein Ran isoform 1 | Homo sapiens (human) | Potency | 0.2593 | 5.8048 | 16.9962 | 25.9290 | AID540253 |
| DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 22.3872 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 10.0000 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
| lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 14.1254 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
| geminin | Homo sapiens (human) | Potency | 25.9290 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
| muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 28.1838 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
| neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 5.0119 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
| Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 79.4328 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
| Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 0.8913 | 1.9953 | 25.5327 | 50.1187 | AID624288 |
| [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) |
|---|---|---|---|---|---|---|---|
| Chain A, RNA-directed RNA polymerase NS5 | Dengue virus 2 16681-PDK53 | IC50 (µMol) | 38.0100 | 2.3700 | 54.1398 | 100.0000 | AID588689 |
| [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) |
|---|---|---|---|---|---|---|---|
| POsterior Segregation | Caenorhabditis elegans | EC50 (µMol) | 300.0000 | 2.2010 | 47.1808 | 186.6810 | AID1964 |
| Sodium-dependent noradrenaline transporter | Homo sapiens (human) | EC50 (µMol) | 300.0000 | 0.0820 | 31.0243 | 168.9080 | AID1960 |
| Zinc finger protein mex-5 | Caenorhabditis elegans | EC50 (µMol) | 300.0000 | 0.0820 | 33.5679 | 168.9080 | AID1960 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| 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 | |||
| 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. |
| AID651635 | Viability Counterscreen for 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. |
| AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
| 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. |
| AID1347160 | Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1347159 | Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| 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. |
| [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 (12.50) | 29.6817 |
| 2010's | 4 (50.00) | 24.3611 |
| 2020's | 3 (37.50) | 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 (12.25) 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 | 8 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||