E3040 glucuronide : A member of the class of benzothiazoles that is E3040 in which the hydroxy hydrogen at position 6 has been replaced by a beta-D-glucosiduronic acid group. It is a metabolite of the anti-inflammatory drug, E3040. [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 | 443294 |
| CHEMBL ID | 2074599 |
| CHEBI ID | 4733 |
| Synonym |
|---|
| C11595 , |
| e3040 glucuronide |
| (2s,3s,4s,5r,6s)-6-[[5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| AC1L9EDW , |
| bdbm50391002 |
| chebi:4733 , |
| CHEMBL2074599 , |
| 5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-yl beta-d-glucopyranosiduronic acid |
| e-3040 glucuronide |
| 2-(methylamino)-5,7-dimethyl-4-(3-pyridinylmethyl)benzothiazole-6-yl beta-d-glucopyranosiduronic acid |
| (2s,3s,4s,5r,6s)-6-[[5,7-dimethyl-2-(methylamino)-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Q27106456 |
| Role | Description |
|---|---|
| xenobiotic metabolite | Any metabolite produced by metabolism of a xenobiotic compound. |
| [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 |
|---|---|
| beta-D-glucosiduronic acid | A glucosiduronic acid resulting from the formal condensation of any substance with beta-D-glucuronic acid to form a glycosidic bond. |
| pyridines | Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives. |
| benzothiazoles | |
| secondary amino compound | A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups. |
| [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) |
|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 3 | Rattus norvegicus (Norway rat) | Ki | 2.6000 | 2.6000 | 2.6000 | 2.6000 | AID682201 |
| Canalicular multispecific organic anion transporter 1 | Rattus norvegicus (Norway rat) | Ki | 3.8400 | 0.8400 | 4.9682 | 10.0000 | AID679036 |
| Multidrug resistance associated protein | Homo sapiens (human) | Ki | 5.6000 | 5.6000 | 5.6000 | 5.6000 | AID678977 |
| [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) |
|---|---|---|---|---|---|---|---|
| Canalicular multispecific organic anion transporter 1 | Rattus norvegicus (Norway rat) | Km | 5.7000 | 1.5000 | 4.3420 | 6.9000 | AID679803 |
| Canalicular multispecific organic anion transporter 1 | Homo sapiens (human) | Km | 14.1000 | 7.2000 | 8.3000 | 9.4000 | AID679300 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| plasma membrane | Canalicular multispecific organic anion transporter 1 | Homo sapiens (human) |
| cell surface | Canalicular multispecific organic anion transporter 1 | Homo sapiens (human) |
| apical plasma membrane | Canalicular multispecific organic anion transporter 1 | Homo sapiens (human) |
| intercellular canaliculus | Canalicular multispecific organic anion transporter 1 | Homo sapiens (human) |
| apical plasma membrane | Canalicular multispecific organic anion transporter 1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID682205 | TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.1 uM, E3040 glucuronide: 50 uM) in membrane vesicles from MRP3-expressing HeLa cells | 1999 | The Journal of biological chemistry, May-21, Volume: 274, Issue:21 | Characterization of the transport properties of cloned rat multidrug resistance-associated protein 3 (MRP3). |
| AID678977 | TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells | 2002 | Pharmaceutical research, Jan, Volume: 19, Issue:1 | Transport activity of human MRP3 expressed in Sf9 cells: comparative studies with rat MRP3. |
| AID679036 | TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat | 1997 | The Journal of pharmacology and experimental therapeutics, Aug, Volume: 282, Issue:2 | Kinetic analysis of the primary active transport of conjugated metabolites across the bile canalicular membrane: comparative study of S-(2,4-dinitrophenyl)-glutathione and 6-hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole glucuronide. |
| AID682129 | TP_TRANSPORTER: inhibition of E1S uptake by 6-hydroxy-5,7-dimetyl-2-metylamino-4-(3-pyridylmethyl) benzothiazole glucronid at a concentration of 250uM in membrane vesicles from ABCG2-expressing P388 cells | 2003 | The Journal of biological chemistry, Jun-20, Volume: 278, Issue:25 | ABCG2 transports sulfated conjugates of steroids and xenobiotics. |
| AID679803 | TP_TRANSPORTER: uptake in bile canalicular membrane vesicles from SD rat | 1997 | The Journal of pharmacology and experimental therapeutics, Aug, Volume: 282, Issue:2 | Kinetic analysis of the primary active transport of conjugated metabolites across the bile canalicular membrane: comparative study of S-(2,4-dinitrophenyl)-glutathione and 6-hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole glucuronide. |
| AID679140 | TP_TRANSPORTER: uptake in membrane vesicles from Mrp3-expressing Sf9 cells | 2002 | Pharmaceutical research, Jan, Volume: 19, Issue:1 | Transport activity of human MRP3 expressed in Sf9 cells: comparative studies with rat MRP3. |
| AID679300 | TP_TRANSPORTER: uptake in bile canalicular membrane vesicles | 1999 | The American journal of physiology, 05, Volume: 276, Issue:5 | Primary active transport of organic anions on bile canalicular membrane in humans. |
| AID681172 | TP_TRANSPORTER: uptake (vesicle) in membrane vesicles from ABCG2-expressing P388 cells | 2003 | The Journal of biological chemistry, Jun-20, Volume: 278, Issue:25 | ABCG2 transports sulfated conjugates of steroids and xenobiotics. |
| AID682201 | TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells | 2002 | Pharmaceutical research, Jan, Volume: 19, Issue:1 | Transport activity of human MRP3 expressed in Sf9 cells: comparative studies with rat MRP3. |
| AID679478 | TP_TRANSPORTER: uptake in membrane vesicle from Mrp3-expressing LLC-PK1 cells | 1999 | The Journal of biological chemistry, May-21, Volume: 274, Issue:21 | Characterization of the transport properties of cloned rat multidrug resistance-associated protein 3 (MRP3). |
| AID678976 | TP_TRANSPORTER: uptake in membrane vesicle from MRP3-expressing Sf9 cells | 2002 | Pharmaceutical research, Jan, Volume: 19, Issue:1 | Transport activity of human MRP3 expressed in Sf9 cells: comparative studies with rat MRP3. |
| [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 | 3 (60.00) | 18.2507 |
| 2000's | 2 (40.00) | 29.6817 |
| 2010's | 0 (0.00) | 24.3611 |
| 2020's | 0 (0.00) | 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 (12.50) 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 | 5 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||