Detailed information for compound 1302430
Basic information
Technical information
- TDR Targets ID: 1302430
- Name: 3-pyridin-3-yloxy-5-(trifluoromethyl)pyridine -2-carboxamide
- MW: 283.206 | Formula: C12H8F3N3O2
-
H donors: 1
H acceptors: 3
LogP: 1.4
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: NC(=O)c1ncc(cc1Oc1cccnc1)C(F)(F)F
- InChi: 1S/C12H8F3N3O2/c13-12(14,15)7-4-9(10(11(16)19)18-5-7)20-8-2-1-3-17-6-8/h1-6H,(H2,16,19)
- InChiKey: AGANRNMZWOEHGK-UHFFFAOYSA-N
Network
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Synonyms
- 3-(3-pyridyloxy)-5-(trifluoromethyl)pyridine-2-carboxamide
- 3-(3-pyridyloxy)-5-(trifluoromethyl)-2-pyridinecarboxamide
- 3-(3-pyridyloxy)-5-(trifluoromethyl)picolinamide
- ZINC01391421
- 3-(3-pyridinyloxy)-5-(trifluoromethyl)-2-pyridinecarboxamide
- MLS000720852
- SMR000334198
- 5G-042
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
| Homo sapiens | polo-like kinase 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.1775 | 0.5 |
| Giardia lamblia | Kinase, PLK | 0.0114 | 0.1775 | 0.5 |
| Loa Loa (eye worm) | transcription factor SMAD2 | 0.0381 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0111 | 0.1681 | 0.1151 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0338 | 0.867 | 0.8585 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 0.1775 | 0.1251 |
| Trypanosoma brucei | polo-like protein kinase | 0.0114 | 0.1775 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1775 | 1 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0338 | 0.867 | 1 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.1775 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1775 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0076 | 0.0599 | 0.0547 |
| Brugia malayi | hypothetical protein | 0.0286 | 0.7058 | 0.7042 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0338 | 0.867 | 1 |
| Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0114 | 0.1775 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0338 | 0.867 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1775 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0076 | 0.0599 | 0.064 |
| Echinococcus granulosus | tar DNA binding protein | 0.0338 | 0.867 | 1 |
| Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 0.7058 | 0.7662 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 0.1775 | 0.2004 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1775 | 1 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 0.1775 | 0.5 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0338 | 0.867 | 0.8663 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0338 | 0.867 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1775 | 1 |
| Schistosoma mansoni | survival motor neuron protein | 0.0058 | 0.0055 | 0.001 |
| Loa Loa (eye worm) | RNA binding protein | 0.0338 | 0.867 | 0.8585 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0111 | 0.1681 | 0.1635 |
| Brugia malayi | serine/threonine-protein kinase plk-2 | 0.0114 | 0.1775 | 0.1729 |
| Brugia malayi | RNA binding protein | 0.0338 | 0.867 | 0.8663 |
| Schistosoma mansoni | hypothetical protein | 0.0058 | 0.0055 | 0.001 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0111 | 0.1681 | 0.1151 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1775 | 1 |
| Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 0.7058 | 0.7662 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0338 | 0.867 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0286 | 0.7058 | 0.687 |
| Brugia malayi | TAR-binding protein | 0.0338 | 0.867 | 0.8663 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0338 | 0.867 | 0.8585 |
| Loa Loa (eye worm) | MH2 domain-containing protein | 0.0381 | 1 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0111 | 0.1681 | 0.1635 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 0.1775 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0338 | 0.867 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1775 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.0251 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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) | 18.8876 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): 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: CHEMBL1406599
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.