Detailed information for compound 1552549
Basic information
Technical information
- TDR Targets ID: 1552549
- Name: 5-furan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-o xazole-3-carboxamide
- MW: 344.319 | Formula: C17H16N2O6
-
H donors: 1
H acceptors: 2
LogP: 2.21
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: COc1c(OC)cc(cc1OC)NC(=O)c1noc(c1)c1ccco1
- InChi: 1S/C17H16N2O6/c1-21-14-7-10(8-15(22-2)16(14)23-3)18-17(20)11-9-13(25-19-11)12-5-4-6-24-12/h4-9H,1-3H3,(H,18,20)
- InChiKey: ODYYZGKVTDQFMK-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 5-(2-furyl)-N-(3,4,5-trimethoxyphenyl)isoxazole-3-carboxamide
- 5-(2-furyl)-N-(3,4,5-trimethoxyphenyl)-3-isoxazolecarboxamide
- EU-0057180
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0022 | 0 | 0.5 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0022 | 0 | 0.5 |
| Loa Loa (eye worm) | SRC-1 | 0.0022 | 0 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 1 | 1 |
| Loa Loa (eye worm) | TK protein kinase | 0.0022 | 0 | 0.5 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 1 | 1 |
| Onchocerca volvulus | 0.0022 | 0 | 0.5 | |
| Onchocerca volvulus | 0.0022 | 0 | 0.5 | |
| Onchocerca volvulus | 0.0022 | 0 | 0.5 | |
| Onchocerca volvulus | 0.0022 | 0 | 0.5 | |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 1 | 1 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 1 | 1 |
| Loa Loa (eye worm) | TK/ABL protein kinase | 0.0022 | 0 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0022 | 0 | 0.5 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0022 | 0 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 1 | 1 |
| Onchocerca volvulus | 0.0022 | 0 | 0.5 | |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0022 | 0 | 0.5 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0022 | 0 | 0.5 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0022 | 0 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0022 | 0 | 0.5 |
| Onchocerca volvulus | 0.0022 | 0 | 0.5 | |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0022 | 0 | 0.5 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0022 | 0 | 0.5 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0022 | 0 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.526 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL1881043
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.