| ID Source | ID |
|---|---|
| PubMed CID | 3803 |
| CHEMBL ID | 149518 |
| CHEBI ID | 92395 |
| SCHEMBL ID | 3056620 |
| Synonym |
|---|
| HMS3269N03 |
| 7-amino-4-chloro-3-methoxy-isocoumarin |
| 7-amino-4-chloro-3-methoxy-isochromen-1-one |
| 7-amino-4-chloro-3-methoxyisocoumarin |
| jlk6 |
| NCGC00167827-01 |
| CHEMBL149518 , |
| 62252-26-0 |
| 7-amino-4-chloro-3-methoxyisochromen-1-one |
| BRD-K22010301-001-01-2 |
| 7-amino-3-methoxy-4-chloroisocoumarin |
| AMDGKLWVCUXONP-UHFFFAOYSA-N |
| SCHEMBL3056620 |
| 7-amino-4-chloro-3-methoxy-1h-2-benzopyran |
| jlk 6 |
| AKOS024457236 |
| jlk-6 |
| CHEBI:92395 |
| 7-amino-4-chloro-3-methoxy-1h-isochromen-1-one |
| 3-methoxy-4-chloro-7-aminoisocoumarin |
| Q27164136 |
| 7-amino-4-chloro-3-methoxy-2-benzopyran-1-one |
| HMS3677B04 |
| jcp251 |
| HMS3413B04 |
| gamma -secretase inhibitor xi |
| bdbm50533415 |
| CS-0028047 |
| HY-103538 |
| Class | Description |
|---|---|
| isocoumarins | |
| [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, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 70.7946 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
| Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 39.8107 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
| vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 44.6684 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 11.0343 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
| [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) |
|---|---|---|---|---|---|---|---|
| Presenilin-1 | Homo sapiens (human) | IC50 (µMol) | 30.0000 | 0.0001 | 0.2378 | 5.6800 | AID1628297 |
| Presenilin-2 | Homo sapiens (human) | IC50 (µMol) | 30.0000 | 0.0001 | 0.2435 | 5.6800 | AID1628297 |
| Gamma-secretase subunit APH-1B | Homo sapiens (human) | IC50 (µMol) | 30.0000 | 0.0001 | 0.2435 | 5.6800 | AID1628297 |
| Nicastrin | Homo sapiens (human) | IC50 (µMol) | 30.0000 | 0.0001 | 0.2435 | 5.6800 | AID1628297 |
| Gamma-secretase subunit APH-1A | Homo sapiens (human) | IC50 (µMol) | 30.0000 | 0.0001 | 0.2435 | 5.6800 | AID1628297 |
| Gamma-secretase subunit PEN-2 | Homo sapiens (human) | IC50 (µMol) | 30.0000 | 0.0001 | 0.2442 | 5.6800 | AID1628297 |
| [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) |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Homo sapiens (human) | [I] | 6.0000 | 0.0700 | 3.0350 | 6.0000 | AID67161 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1508630 | Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay | 2021 | Cell reports, 04-27, Volume: 35, Issue:4 | A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. |
| AID1347154 | Primary screen GU AMC 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. |
| AID382068 | Binding affinity to pig pancreatic cholesterol esterase | 2008 | Bioorganic & medicinal chemistry, May-01, Volume: 16, Issue:9 | Isocoumarin-based inhibitors of pancreatic cholesterol esterase. |
| AID67484 | Second order inactivation rate constant for inhibition of human leukocyte elastase. | 1995 | Journal of medicinal chemistry, Feb-03, Volume: 38, Issue:3 | Mechanism-based isocoumarin inhibitors for human leukocyte elastase. Effect of the 7-amino substituent and 3-alkoxy group in 3-alkoxy-7-amino-4-chloroisocoumarins on inhibitory potency. |
| AID67161 | Inhibition of human leukocyte elastase. | 1995 | Journal of medicinal chemistry, Feb-03, Volume: 38, Issue:3 | Mechanism-based isocoumarin inhibitors for human leukocyte elastase. Effect of the 7-amino substituent and 3-alkoxy group in 3-alkoxy-7-amino-4-chloroisocoumarins on inhibitory potency. |
| AID1374798 | Reversible inhibition of recombinant Escherichia coli N-terminal His-tagged rhomboid protease GlpG expressed in Escherichia coli C43(DE3) cells assessed as recovery of enzyme activity at 10 uM using KSp76 as substrate preincubated for 1 hr followed by sub | 2018 | Bioorganic & medicinal chemistry letters, 05-01, Volume: 28, Issue:8 | Discovery and validation of 2-styryl substituted benzoxazin-4-ones as a novel scaffold for rhomboid protease inhibitors. |
| AID732994 | Half life of the compound in hepes buffer | 2013 | Bioorganic & medicinal chemistry, Feb-15, Volume: 21, Issue:4 | Further characterization of a putative serine protease contributing to the γ-secretase cleavage of β-amyloid precursor protein. |
| AID25906 | Half-life for hydrolysis was determined from kinetic constant. | 1995 | Journal of medicinal chemistry, Feb-03, Volume: 38, Issue:3 | Mechanism-based isocoumarin inhibitors for human leukocyte elastase. Effect of the 7-amino substituent and 3-alkoxy group in 3-alkoxy-7-amino-4-chloroisocoumarins on inhibitory potency. |
| AID1628297 | Inhibition of gamma secretase mediated amyloid beta level reduction in HEK293 cells expressing APP after 72 hrs by chemiluminescence assay | 2016 | Journal of medicinal chemistry, 09-08, Volume: 59, Issue:17 | Notch Antagonists: Potential Modulators of Cancer and Inflammatory Diseases. |
| [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 | 1 (14.29) | 18.2507 |
| 2000's | 1 (14.29) | 29.6817 |
| 2010's | 3 (42.86) | 24.3611 |
| 2020's | 2 (28.57) | 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 (13.04) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (14.29%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 6 (85.71%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||