Detailed information for compound 1409572
Basic information
Technical information
- TDR Targets ID: 1409572
- Name: N-(6-methoxypyridin-3-yl)-2-phenylacetamide
- MW: 242.273 | Formula: C14H14N2O2
-
H donors: 1
H acceptors: 2
LogP: 1.93
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cn1)NC(=O)Cc1ccccc1
- InChi: 1S/C14H14N2O2/c1-18-14-8-7-12(10-15-14)16-13(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17)
- InChiKey: VIOXEJGYJLWFDX-UHFFFAOYSA-N
Network
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Synonyms
- N-(6-methoxy-3-pyridyl)-2-phenyl-acetamide
- N-(6-methoxy-3-pyridyl)-2-phenylacetamide
- N-(6-methoxypyridin-3-yl)-2-phenyl-ethanamide
- T5593606
- MLS001004132
- SMR000377800
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | polo-like kinase 1 | Starlite/ChEMBL | No references |
| Caenorhabditis elegans | Protein GLD-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 |
|---|---|---|---|---|
| Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0114 | 0.2284 | 0.5 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.2284 | 0.5 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.2284 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.2284 | 1 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 0.2284 | 0.2284 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.2284 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.2284 | 1 |
| Trypanosoma brucei | polo-like protein kinase | 0.0114 | 0.2284 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.2284 | 1 |
| Brugia malayi | serine/threonine-protein kinase plk-2 | 0.0114 | 0.2284 | 0.2284 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.2284 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.2284 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 0.2284 | 1 |
| Loa Loa (eye worm) | tumor suppressor | 0.0388 | 1 | 1 |
| Giardia lamblia | Kinase, PLK | 0.0114 | 0.2284 | 0.5 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 0.2284 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.2284 | 1 |
| Echinococcus granulosus | serine:threonine protein kinase PLK1 | 0.0114 | 0.2284 | 0.5 |
| Echinococcus multilocularis | serine:threonine protein kinase PLK1 | 0.0114 | 0.2284 | 0.5 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 0.2284 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 15.12 uM | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of GLD-1 protein - TGE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2280, AID2290, AID2459] | ChEMBL. | No reference |
| IC50 (binding) | > 25.171 um | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the HIV Rev protein-RRE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2290 (Summary (gld-1 inhibitors)), 2280 (Primary screen (gld-1 inhibitors in singlicate))] | ChEMBL. | No reference |
| Potency (functional) | 4.4668 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | 5.2213 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) | 10.4179 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):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 |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 37.933 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | ||
| 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: CHEMBL1549136
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.