ID Source | ID |
---|---|
PubMed CID | 1510379 |
CHEMBL ID | 1310318 |
CHEBI ID | 92792 |
SCHEMBL ID | 2409405 |
Synonym |
---|
BB 0261493 |
MLS000729299 , |
smr000307577 |
6-fluoro-2-(2-methylphenyl)-1,2-benzisothiazol-3(2h)-one |
KUC103866N |
ksc-09-010 |
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one |
AKOS001748415 |
CHEMBL1310318 |
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3(2h)-one |
STK779992 |
HMS2706F16 |
MLS003116058 , |
bdbm34849 |
6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-one |
cid_1510379 |
6-fluoro-2-(o-tolyl)-1,2-benzothiazol-3-one |
SCHEMBL2409405 |
BUIZTXXZBDUOCR-UHFFFAOYSA-N |
1,2-benzisothiazol-3(2h)-one, 6-fluoro-2-(2-methylphenyl)- |
CHEBI:92792 |
Q27164553 |
727664-79-1 |
6-fluoro-2-(2-methylphenyl)-1, 2-benzothiazol-3(2h)-one; 6-fluoro-2-o-tolylbenzo[d] isothiazol-3(2h)-one |
thr101 |
Excerpt | Reference | Relevance |
---|---|---|
" The most promising compounds were also profiled for bioavailability parameters, including metabolic stability, plasma stability, and permeability." | ( Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. Bravo, Y; Brown, B; Cosford, ND; Dahl, R; Dhanya, RP; Freeze, HH; Hedrick, M; Ichikawa, M; Mangravita-Novo, A; Rascon, J; Sergienko, E; Sharma, V; Smith, LH; Stonich, D; Su, Y; Vicchiarelli, M; Yang, L, 2011) | 0.37 |
Excerpt | Relevance | Reference |
---|---|---|
" The pharmacokinetic profile of a representative of this series (compound 19; ML089) was also assessed, demonstrating the potential of this series for in vivo efficacy when dosed orally in disease models." | ( Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. Bravo, Y; Brown, B; Cosford, ND; Dahl, R; Dhanya, RP; Freeze, HH; Hedrick, M; Ichikawa, M; Mangravita-Novo, A; Rascon, J; Sergienko, E; Sharma, V; Smith, LH; Stonich, D; Su, Y; Vicchiarelli, M; Yang, L, 2011) | 0.37 |
Class | Description |
---|---|
benzothiazoles | |
[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 | 2.8184 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 11.1936 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 4.4668 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 11.2202 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 10.6910 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 6.3096 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 25.1189 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
WRN | Homo sapiens (human) | Potency | 14.1254 | 0.1683 | 31.2583 | 100.0000 | AID651768 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 0.5623 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0810 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
GLS protein | Homo sapiens (human) | Potency | 0.5623 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
TDP1 protein | Homo sapiens (human) | Potency | 2.2143 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 17.5595 | 0.1800 | 13.5574 | 39.8107 | AID1460; AID1468 |
TSHR protein | Homo sapiens (human) | Potency | 19.0115 | 0.3381 | 19.0466 | 37.9330 | AID602292 |
Smad3 | Homo sapiens (human) | Potency | 22.3872 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 0.5623 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
hypothetical protein, conserved | Trypanosoma brucei | Potency | 8.9125 | 0.2239 | 11.2451 | 35.4813 | AID624173 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 4.4668 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
IDH1 | Homo sapiens (human) | Potency | 18.3564 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 6.3096 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 15.8489 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 31.6228 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 35.4813 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 35.4813 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 79.4328 | 0.1337 | 25.4129 | 89.1251 | AID588795 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 1.1917 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 2.9904 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
geminin | Homo sapiens (human) | Potency | 10.7668 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 11.2202 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 1.2589 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 35.4813 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 35.4813 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 2.5119 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
Alpha-synuclein | Homo sapiens (human) | Potency | 11.2202 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 4.4668 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
ATP-dependent phosphofructokinase | Trypanosoma brucei brucei TREU927 | Potency | 14.5026 | 0.0601 | 10.7453 | 37.9330 | AID485367; AID504636; AID504637 |
[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) |
---|---|---|---|---|---|---|---|
MPI protein | Homo sapiens (human) | IC50 (µMol) | 5.9283 | 0.1900 | 13.8256 | 50.1000 | AID1209; AID1220 |
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | Plasmodium berghei | IC50 (µMol) | 6.8200 | 0.8890 | 21.0286 | 71.5000 | AID504765; AID540252; AID540269 |
M18 aspartyl aminopeptidase | Plasmodium falciparum 3D7 | IC50 (µMol) | 0.6481 | 0.3851 | 13.0782 | 100.0000 | AID2195 |
hexokinase | Trypanosoma brucei brucei TREU927 | IC50 (µMol) | 4.6863 | 0.2008 | 4.6024 | 22.3780 | AID1632; AID2230 |
neutrophil cytosol factor 1 | Homo sapiens (human) | IC50 (µMol) | 6.9100 | 0.3900 | 6.5441 | 29.1200 | AID1275 |
glucose-6-phosphate 1-dehydrogenase isoform b | Homo sapiens (human) | IC50 (µMol) | 13.9000 | 8.8700 | 12.8518 | 17.8000 | AID504792 |
eukaryotic translation initiation factor 4 gamma 1 isoform 4 | Homo sapiens (human) | IC50 (µMol) | 36.7300 | 1.1500 | 12.6200 | 25.6529 | AID855 |
eukaryotic translation initiation factor 4E isoform 1 | Mus musculus (house mouse) | IC50 (µMol) | 36.7300 | 1.1500 | 12.6200 | 25.6529 | AID855 |
DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | IC50 (µMol) | 9.0200 | 0.2700 | 26.3638 | 100.0000 | AID504719 |
DNA dC->dU-editing enzyme APOBEC-3A isoform a | Homo sapiens (human) | IC50 (µMol) | 100.0000 | 1.4800 | 14.5267 | 61.2000 | AID504722 |
Phosphomannomutase 2 | Homo sapiens (human) | IC50 (µMol) | 20.0000 | 5.2000 | 5.2000 | 5.2000 | AID597375 |
Neutrophil elastase | Homo sapiens (human) | IC50 (µMol) | 4.8000 | 0.0063 | 2.0734 | 22.3780 | AID2230 |
Mannose-6-phosphate isomerase | Homo sapiens (human) | IC50 (µMol) | 2.9000 | 0.7100 | 3.3175 | 6.4000 | AID597374 |
large T antigen | Betapolyomavirus macacae | IC50 (µMol) | 13.0900 | 0.1600 | 24.9724 | 100.0000 | AID1903 |
[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) |
---|---|---|---|---|---|---|---|
RGS7, partial | Homo sapiens (human) | EC50 (µMol) | 30.0000 | 0.1400 | 2.1300 | 4.7800 | AID1871 |
MSRA protein | Bos taurus (cattle) | EC50 (µMol) | 103.9510 | 3.6370 | 4.0500 | 4.4630 | AID623963 |
regulator of G-protein signaling 4 | Homo sapiens (human) | EC50 (µMol) | 30.0000 | 0.1350 | 3.3506 | 10.0690 | AID1872 |
regulator of G-protein signaling 19 | Homo sapiens (human) | EC50 (µMol) | 0.4600 | 0.1150 | 3.1756 | 14.1300 | AID1884 |
regulator of G-protein signaling 16 | Homo sapiens (human) | EC50 (µMol) | 16.0000 | 0.0530 | 3.6258 | 16.0000 | AID1888 |
large T antigen | Betapolyomavirus macacae | EC50 (µMol) | 14.5500 | 0.1000 | 35.4896 | 50.0000 | AID2102 |
[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) |
---|---|---|---|---|---|---|---|
hypothetical protein CAALFM_CR05890CA | Candida albicans SC5314 | AC50 | 5.9000 | 1.5500 | 13.0038 | 54.7000 | AID588764 |
H3 histone acetyltransferase | Candida albicans SC5314 | AC50 | 5.9000 | 1.5500 | 13.0038 | 54.7000 | AID588764 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID597375 | Inhibition of human purified PMM2 | 2011 | Journal of medicinal chemistry, May-26, Volume: 54, Issue:10 | Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. |
AID597374 | Inhibition of human purified phosphomannose isomerase | 2011 | Journal of medicinal chemistry, May-26, Volume: 54, Issue:10 | Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. |
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 | |||
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. |
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. |
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. |
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. |
AID1745845 | 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 (16.67) | 29.6817 |
2010's | 4 (66.67) | 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 weak demand-to-supply ratio for research on this compound.
| This Compound (12.35) 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 | 6 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |