Detailed information for compound 28782
Basic information
Technical information
- Name: Unnamed compound
- MW: 238.241 | Formula: C14H10N2O2
-
H donors: 2
H acceptors: 3
LogP: 3.26
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: N#Cc1cccc(c1)Nc1ccccc1C(=O)O
- InChi: 1S/C14H10N2O2/c15-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)14(17)18/h1-8,16H,(H,17,18)
- InChiKey: BWUIKGLLPINDDU-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 |
|---|---|---|---|---|
| Onchocerca volvulus | Bile acid receptor homolog | 0.0057 | 0 | 0.5 |
| Brugia malayi | Ras-related protein R-Ras2 | 0.0236 | 1 | 1 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0057 | 0 | 0.5 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0057 | 0 | 0.5 |
| Trichomonas vaginalis | ras-dva small GTPase, putative | 0.0236 | 1 | 0.5 |
| Trichomonas vaginalis | ral, putative | 0.0236 | 1 | 0.5 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0057 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0236 | 1 | 1 |
| Onchocerca volvulus | 0.0057 | 0 | 0.5 | |
| Loa Loa (eye worm) | Ras protein let-60 | 0.0236 | 1 | 1 |
| Entamoeba histolytica | Ras family GTPase | 0.0236 | 1 | 0.5 |
| Trichomonas vaginalis | rheb, putative | 0.0236 | 1 | 0.5 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0057 | 0 | 0.5 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0057 | 0 | 0.5 |
| Schistosoma mansoni | coup transcription factor | 0.0057 | 0 | 0.5 |
| Entamoeba histolytica | ras-1, putative | 0.0236 | 1 | 0.5 |
| Trichomonas vaginalis | GTP-binding protein rit, putative | 0.0236 | 1 | 0.5 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.0057 | 0 | 0.5 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0057 | 0 | 0.5 |
| Trichomonas vaginalis | rap1 and, putative | 0.0236 | 1 | 0.5 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0057 | 0 | 0.5 |
| Trichomonas vaginalis | dexras1, putative | 0.0236 | 1 | 0.5 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0057 | 0 | 0.5 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0057 | 0 | 0.5 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0057 | 0 | 0.5 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0057 | 0 | 0.5 |
| Echinococcus granulosus | ras gtpase | 0.0236 | 1 | 1 |
| Echinococcus multilocularis | ras gtpase | 0.0236 | 1 | 1 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0057 | 0 | 0.5 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0057 | 0 | 0.5 |
| Entamoeba histolytica | Ras family GTPase | 0.0236 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (binding) | Activation of human TRESK channel expressed in HEK293 cells assessed as induction of channel current at 100 uM by whole cell patch clamp assay relative to control | LITERATURE. | 27641472 | |
| clogP | = 4.303 | Calculated partition coefficient (clogP) | ChEMBL. | 8487264 |
| Inhibition (functional) | = 11.6 % | Compound is evaluated for the inhibition of [125I]-T3 uptake by H4 rat hepatoma cells at 0.1 mM | ChEMBL. | 8487264 |
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: CHEMBL23101
Bibliographic References
2 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.