Detailed information for compound 981636
Basic information
Technical information
- Name: Unnamed compound
- MW: 314.311 | Formula: C17H15FN2O3
-
H donors: 0
H acceptors: 2
LogP: 3.49
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: COC(=O)c1coc(n1)c1cc(n(c1C)c1ccc(cc1)F)C
- InChi: 1S/C17H15FN2O3/c1-10-8-14(16-19-15(9-23-16)17(21)22-3)11(2)20(10)13-6-4-12(18)5-7-13/h4-9H,1-3H3
- InChiKey: PMPFPBFKDATMLY-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
No curated genes were found associated with this compound
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 | 0.0035 | 0.4244 | 0.4244 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0062 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0062 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0062 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.4244 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.4244 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.4244 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.4244 | 0.5 |
| Mycobacterium tuberculosis | Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) | 0.0015 | 0 | 0.5 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0062 | 1 | 1 |
| Plasmodium vivax | isocitrate dehydrogenase [NADP], mitochondrial, putative | 0.0015 | 0 | 0.5 |
| Echinococcus granulosus | tar DNA binding protein | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0062 | 1 | 1 |
| Toxoplasma gondii | isocitrate dehydrogenase | 0.0015 | 0 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0062 | 1 | 1 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0035 | 0.4244 | 0.4244 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0062 | 1 | 1 |
| Trypanosoma cruzi | isocitrate dehydrogenase, putative | 0.0015 | 0 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0035 | 0.4244 | 0.4244 |
| Brugia malayi | TAR-binding protein | 0.0062 | 1 | 1 |
| Toxoplasma gondii | isocitrate dehydrogenase | 0.0015 | 0 | 0.5 |
| Trypanosoma brucei | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0015 | 0 | 0.5 |
| Trypanosoma cruzi | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0015 | 0 | 0.5 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0035 | 0.4244 | 0.4244 |
| Loa Loa (eye worm) | RNA binding protein | 0.0062 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0035 | 0.4244 | 0.4244 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0062 | 1 | 1 |
| Trypanosoma brucei | isocitrate dehydrogenase, putative | 0.0015 | 0 | 0.5 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0062 | 1 | 1 |
| Plasmodium falciparum | isocitrate dehydrogenase [NADP], mitochondrial | 0.0015 | 0 | 0.5 |
| Leishmania major | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0015 | 0 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | > 40000 nM | OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from 21 point dose response curves. Avery Group Griffith. | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
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: CHEMBL2113957
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.