Detailed information for compound 69723
Basic information
Technical information
- TDR Targets ID: 69723
- Name: N-butyl-2-(3-hydroxy-2-oxopyridin-1-yl)acetam ide
- MW: 224.256 | Formula: C11H16N2O3
-
H donors: 2
H acceptors: 3
LogP: 0.84
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: CCCCNC(=O)Cn1cccc(c1=O)O
- InChi: 1S/C11H16N2O3/c1-2-3-6-12-10(15)8-13-7-4-5-9(14)11(13)16/h4-5,7,14H,2-3,6,8H2,1H3,(H,12,15)
- InChiKey: FPHQMGFFAPROIQ-UHFFFAOYSA-N
Network
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Synonyms
- N-butyl-2-(3-hydroxy-2-oxo-1-pyridyl)acetamide
- N-butyl-2-(3-hydroxy-2-oxo-pyridin-1-yl)ethanamide
- N-butyl-2-(3-hydroxy-2-keto-1-pyridyl)acetamide
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 |
|---|---|---|---|---|
| Trypanosoma cruzi | thymidylate kinase, putative | 0.0673 | 1 | 1 |
| Mycobacterium tuberculosis | Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) | 0.0673 | 1 | 0.5 |
| Entamoeba histolytica | Thymidylate kinase, putative | 0.0673 | 1 | 0.5 |
| Plasmodium falciparum | thymidylate kinase | 0.0673 | 1 | 0.5 |
| Treponema pallidum | thymidylate kinase (tmk) | 0.0673 | 1 | 0.5 |
| Toxoplasma gondii | thymidylate kinase | 0.0673 | 1 | 0.5 |
| Trypanosoma brucei | thymidylate kinase, putative | 0.0673 | 1 | 0.5 |
| Onchocerca volvulus | Putative thymidylate kinase | 0.0673 | 1 | 0.5 |
| Trypanosoma cruzi | thymidylate kinase, putative | 0.0673 | 1 | 1 |
| Loa Loa (eye worm) | thymidylate kinase | 0.0673 | 1 | 0.5 |
| Trypanosoma brucei | thymidylate kinase, putative | 0.0673 | 1 | 0.5 |
| Trichomonas vaginalis | thymidylate kinase, putative | 0.0673 | 1 | 0.5 |
| Leishmania major | thymidylate kinase-like protein | 0.0673 | 1 | 1 |
| Chlamydia trachomatis | thymidylate kinase | 0.0673 | 1 | 0.5 |
| Echinococcus multilocularis | thymidylate kinase | 0.0673 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0673 | 1 | 1 |
| Schistosoma mansoni | thymidylate kinase | 0.0673 | 1 | 1 |
| Giardia lamblia | CDC8 | 0.0673 | 1 | 0.5 |
| Schistosoma mansoni | thymidylate kinase | 0.0673 | 1 | 1 |
| Echinococcus granulosus | thymidylate kinase | 0.0673 | 1 | 1 |
| Plasmodium vivax | thymidylate kinase, putative | 0.0673 | 1 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | thymidylate kinase | 0.0673 | 1 | 0.5 |
| Mycobacterium leprae | probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) | 0.0673 | 1 | 0.5 |
| Mycobacterium ulcerans | thymidylate kinase | 0.0673 | 1 | 0.5 |
| Trichomonas vaginalis | thymidylate kinase, putative | 0.0673 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Distribution coefficient | = 2.12 | Distribution coefficient was measured at an aqueous phase buffered at pH 7.4 and octanol | ChEMBL. | 2342069 |
| Distribution coefficient | = 3.74 | Distribution coefficient and iron(III) complex was measured at an aqueous phase buffered at pH 7.4 and octanol | ChEMBL. | 2342069 |
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
- PubChem: 13336736
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.