Detailed information for compound 1706597
Basic information
Technical information
- Name: Unnamed compound
- MW: 338.375 | Formula: C20H19FN2O2
-
H donors: 2
H acceptors: 2
LogP: 4.09
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Fc1ccc(cc1)[C@@H]1O[C@H](CCc2ccccc2)Cc2c1c(O)[nH]n2
- InChi: 1S/C20H19FN2O2/c21-15-9-7-14(8-10-15)19-18-17(22-23-20(18)24)12-16(25-19)11-6-13-4-2-1-3-5-13/h1-5,7-10,16,19H,6,11-12H2,(H2,22,23,24)/t16-,19+/m1/s1
- InChiKey: IZNJIUCXCSSYRS-APWZRJJASA-N
Network
Hover on a compound node to display the structore
Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glucagon-like peptide 1 receptor | 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
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | TAR-binding protein | 0.0076 | 0.2825 | 0.4847 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.1523 | 0.2612 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2825 | 0.2825 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.5828 | 1 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.2825 | 0.4847 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.5828 | 1 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 0.5828 | 1 |
| Brugia malayi | serine/threonine-protein kinase plk-2 | 0.0114 | 0.5828 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2825 | 0.2825 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.5828 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0166 | 1 | 1 |
| Giardia lamblia | Kinase, PLK | 0.0114 | 0.5828 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2825 | 0.2825 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.1523 | 0.2612 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 0.5828 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.5828 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.2825 | 0.4847 |
| Echinococcus multilocularis | serine:threonine protein kinase PLK1 | 0.0114 | 0.5828 | 0.4186 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.1523 | 0.2612 |
| Echinococcus granulosus | serine:threonine protein kinase PLK1 | 0.0114 | 0.5828 | 0.4186 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.2825 | 0.4847 |
| Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0114 | 0.5828 | 0.5 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.5828 | 0.5 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.5828 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2825 | 0.2825 |
| Trypanosoma brucei | polo-like protein kinase | 0.0114 | 0.5828 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.5828 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.1523 | 0.2612 |
| Loa Loa (eye worm) | hypothetical protein | 0.0081 | 0.3188 | 0.5469 |
| Schistosoma mansoni | hypothetical protein | 0.0166 | 1 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.2825 | 0.4847 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.2825 | 0.4847 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.5828 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 0.5828 | 0.5828 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.5828 | 1 |
| Echinococcus multilocularis | geminin | 0.0166 | 1 | 1 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 0.5828 | 1 |
| Schistosoma mansoni | kinase | 0.0058 | 0.1344 | 0.1344 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2825 | 0.2825 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.9173 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 |
| Potency (functional) | 56.2341 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | 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: CHEMBL2138325
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.