Detailed information for compound 1549583
Basic information
Technical information
- TDR Targets ID: 1549583
- Name: methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3- carboxylate
- MW: 209.199 | Formula: C10H11NO4
-
H donors: 1
H acceptors: 4
LogP: 1.32
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: COC(=O)c1cc(C(=O)C)c(nc1O)C
- InChi: 1S/C10H11NO4/c1-5-7(6(2)12)4-8(9(13)11-5)10(14)15-3/h4H,1-3H3,(H,11,13)
- InChiKey: FTGXNLWWMZEWNF-UHFFFAOYSA-N
Network
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Synonyms
- 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid methyl ester
- 5-acetyl-2-keto-6-methyl-1H-pyridine-3-carboxylic acid methyl ester
- methyl 5-ethanoyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate
- BAS 01884755
- ZINC02992323
- MLS000714615
- SMR000274594
- 5-Acetyl-6-methyl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid methyl ester
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
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 |
|---|---|---|---|---|
| Trichomonas vaginalis | heat shock protein, putative | 0.0126 | 1 | 1 |
| Echinococcus granulosus | heat shock protein | 0.0126 | 1 | 1 |
| Mycobacterium tuberculosis | Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) | 0.01 | 0.655 | 0.5 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Giardia lamblia | Heat shock protein HSP 90-alpha | 0.0126 | 1 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.1142 | 0.1142 |
| Echinococcus granulosus | endoplasmin | 0.01 | 0.655 | 0.655 |
| Plasmodium vivax | heat shock protein 86, putative | 0.0126 | 1 | 1 |
| Plasmodium falciparum | endoplasmin, putative | 0.0077 | 0.345 | 0.345 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.0126 | 1 | 1 |
| Trichomonas vaginalis | heat shock protein, putative | 0.01 | 0.655 | 0.655 |
| Loa Loa (eye worm) | heat shock protein 90 | 0.0126 | 1 | 1 |
| Toxoplasma gondii | heat shock protein HSP90 | 0.0126 | 1 | 1 |
| Entamoeba histolytica | heat shock protein 90, putative | 0.0126 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.0126 | 1 | 1 |
| Echinococcus granulosus | heat shock protein 90 | 0.0126 | 1 | 1 |
| Trypanosoma cruzi | Heat shock protein 83, putative | 0.0126 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | heat shock protein 90 | 0.01 | 0.655 | 0.5 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.0126 | 1 | 1 |
| Plasmodium vivax | endoplasmin, putative | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.0126 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.0074 | 0.3058 | 0.3058 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.0126 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.0126 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0077 | 0.345 | 0.345 |
| Trypanosoma brucei | heat shock protein 90, putative | 0.0126 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.01 | 0.655 | 0.655 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Leishmania major | lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative | 0.01 | 0.655 | 0.655 |
| Trichomonas vaginalis | heat shock protein, putative | 0.01 | 0.655 | 0.655 |
| Schistosoma mansoni | heat shock protein | 0.0126 | 1 | 1 |
| Echinococcus multilocularis | heat shock protein | 0.0126 | 1 | 1 |
| Entamoeba histolytica | heat shock protein 90, putative | 0.0126 | 1 | 1 |
| Echinococcus multilocularis | endoplasmin | 0.01 | 0.655 | 0.655 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.1142 | 0.1142 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Trichomonas vaginalis | endoplasmin, putative | 0.0077 | 0.345 | 0.345 |
| Trypanosoma brucei | heat shock protein, putative | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Trichomonas vaginalis | heat shock protein, putative | 0.01 | 0.655 | 0.655 |
| Mycobacterium leprae | PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) | 0.01 | 0.655 | 0.5 |
| Onchocerca volvulus | Heat shock protein 75 kDa, mitochondrial homolog | 0.0052 | 0 | 0.5 |
| Echinococcus multilocularis | heat shock protein 90 | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.0126 | 1 | 1 |
| Treponema pallidum | heat shock protein 90 | 0.01 | 0.655 | 0.5 |
| Trypanosoma brucei | heat shock protein, putative | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Schistosoma mansoni | endoplasmin | 0.0126 | 1 | 1 |
| Brugia malayi | heat shock protein 90 | 0.0126 | 1 | 1 |
| Trypanosoma brucei | heat shock protein 90, putative | 0.0126 | 1 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.1142 | 0.1142 |
| Trypanosoma brucei | heat shock protein, putative | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Schistosoma mansoni | endoplasmin | 0.0126 | 1 | 1 |
| Echinococcus multilocularis | heat shock protein 90 | 0.01 | 0.655 | 0.655 |
| Trypanosoma brucei | Heat shock protein 83, putative | 0.0126 | 1 | 1 |
| Plasmodium falciparum | heat shock protein 90 | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Echinococcus granulosus | heat shock protein 90 | 0.01 | 0.655 | 0.655 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.1142 | 0.1142 |
| Trypanosoma brucei | heat shock protein, putative | 0.0126 | 1 | 1 |
| Schistosoma mansoni | heat shock protein | 0.0126 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.01 | 0.655 | 0.655 |
| Echinococcus granulosus | heat shock protein heat shock protein 90 alpha | 0.01 | 0.655 | 0.655 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Loa Loa (eye worm) | endoplasmin | 0.0126 | 1 | 1 |
| Toxoplasma gondii | heat shock protein 90, putative | 0.0126 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.0126 | 1 | 1 |
| Mycobacterium ulcerans | heat shock protein 90 | 0.01 | 0.655 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | 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) | 11.2202 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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: CHEMBL1884077
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.