Detailed information for compound 17432
Basic information
Technical information
- TDR Targets ID: 17432
- Name: N-[[3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5 -yl]methyl]acetamide
- MW: 276.288 | Formula: C14H16N2O4
-
H donors: 1
H acceptors: 3
LogP: 0.52
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: CC(=O)NCC1CN(C(=O)O1)c1ccc(cc1)C(=O)C
- InChi: 1S/C14H16N2O4/c1-9(17)11-3-5-12(6-4-11)16-8-13(20-14(16)19)7-15-10(2)18/h3-6,13H,7-8H2,1-2H3,(H,15,18)
- InChiKey: POXUJOYUVLWPQN-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-[[3-(4-acetylphenyl)-2-oxo-oxazolidin-5-yl]methyl]acetamide
- N-[[3-(4-acetylphenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide
- N-[[3-(4-ethanoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanamide
- N-[[3-(4-acetylphenyl)-2-keto-oxazolidin-5-yl]methyl]acetamide
- 4-acetylphenyloxooxazolidinylmethylacetamide
- 104421-21-8
- 3-(4-Acetylphenyl)-5-acetamidomethyl-2-oxazolidinone
- AIDS-008555
- AIDS008555
- DuP-721
- Acetamide, N-((3-(4-acetylphenyl)-2-oxo-5-oxazolidinyl)methyl)-, (S)-
- Dup 721
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 |
|---|---|---|---|---|
| Echinococcus multilocularis | Niemann Pick C1 protein | 0.053 | 0.3945 | 0.3945 |
| Schistosoma mansoni | subfamily S9B unassigned peptidase (S09 family) | 0.0168 | 0.1051 | 0.1051 |
| Echinococcus multilocularis | dipeptidyl aminopeptidaseprotein | 0.0168 | 0.1051 | 0.1051 |
| Echinococcus multilocularis | hydroxymethylglutaryl coenzyme A reductase | 0.1288 | 1 | 1 |
| Loa Loa (eye worm) | abnormal chemotaxis protein 14 | 0.053 | 0.3945 | 0.3945 |
| Echinococcus granulosus | Protein patched homolog 1 | 0.053 | 0.3945 | 0.3945 |
| Schistosoma mansoni | hydroxymethylglutaryl-CoA reductase (NADPH) | 0.1288 | 1 | 1 |
| Trypanosoma brucei | serine peptidase, Clan SC, Family S9B | 0.0057 | 0.0159 | 0.0159 |
| Leishmania major | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.1288 | 1 | 1 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.0604 | 0.4536 | 1 |
| Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.1288 | 1 | 1 |
| Schistosoma mansoni | patched 1 | 0.053 | 0.3945 | 0.3945 |
| Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.0053 | 0.0053 |
| Echinococcus granulosus | sterol regulatory element binding protein | 0.053 | 0.3945 | 0.3945 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.0053 | 0.0053 |
| Echinococcus granulosus | dipeptidyl aminopeptidaseprotein | 0.0168 | 0.1051 | 0.1051 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.0604 | 0.4536 | 1 |
| Onchocerca volvulus | Dipeptidyl peptidase family member 1 homolog | 0.0168 | 0.1051 | 1 |
| Echinococcus granulosus | Niemann Pick C1 protein | 0.053 | 0.3945 | 0.3945 |
| Loa Loa (eye worm) | hypothetical protein | 0.1288 | 1 | 1 |
| Trypanosoma brucei | Dipeptidyl-peptidase 8-like, putative | 0.0057 | 0.0159 | 0.0159 |
| Trypanosoma brucei | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.1288 | 1 | 1 |
| Trypanosoma cruzi | dipeptidyl-peptidase 8-like serine peptidase | 0.0057 | 0.0159 | 0.0159 |
| Mycobacterium ulcerans | hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase | 0.1288 | 1 | 0.5 |
| Echinococcus granulosus | hydroxymethylglutaryl coenzyme A reductase | 0.1288 | 1 | 1 |
| Echinococcus multilocularis | protein dispatched 1 | 0.053 | 0.3945 | 0.3945 |
| Echinococcus granulosus | Dipeptidyl peptidase 9 | 0.0057 | 0.0159 | 0.0159 |
| Brugia malayi | CHE-14 protein | 0.053 | 0.3945 | 0.3945 |
| Brugia malayi | prolyl oligopeptidase family protein | 0.0057 | 0.0159 | 0.0159 |
| Echinococcus multilocularis | Dipeptidyl peptidase 9 | 0.0057 | 0.0159 | 0.0159 |
| Loa Loa (eye worm) | hypothetical protein | 0.053 | 0.3945 | 0.3945 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.0604 | 0.4536 | 1 |
| Brugia malayi | prolyl oligopeptidase family protein | 0.0168 | 0.1051 | 0.1051 |
| Loa Loa (eye worm) | prolyl oligopeptidase | 0.0168 | 0.1051 | 0.1051 |
| Trypanosoma cruzi | serine peptidase, Clan SC, Family S9B | 0.0057 | 0.0159 | 0.0159 |
| Leishmania major | dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B | 0.0057 | 0.0159 | 0.0159 |
| Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.1288 | 1 | 1 |
| Echinococcus multilocularis | sterol regulatory element binding protein | 0.053 | 0.3945 | 0.3945 |
| Schistosoma mansoni | dipeptidyl-peptidase 9 (S09 family) | 0.0057 | 0.0159 | 0.0159 |
| Toxoplasma gondii | dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein | 0.0057 | 0.0159 | 1 |
| Giardia lamblia | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 0.0604 | 0.4536 | 0.5 |
| Schistosoma mansoni | niemann-pick C1 (NPC1) | 0.053 | 0.3945 | 0.3945 |
| Echinococcus multilocularis | protein patched | 0.053 | 0.3945 | 0.3945 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.053 | 0.3945 | 0.8697 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| MIC (functional) | = 0.5 ug ml-1 | Antibacterial activity against Staphylococcus aureus SFCO-1a cell line. | ChEMBL. | 1552508 |
| MIC (functional) | = 0.5 ug ml-1 | In vitro minimum inhibitory concentration against Staphylococcus aureus (SFCO-1a) | ChEMBL. | 2502627 |
| MIC (functional) | = 1 ug ml-1 | Antibacterial activity against Enterococcus faecalis STCO-19 | ChEMBL. | 1552508 |
| MIC (functional) | = 1 ug ml-1 | In vitro minimum inhibitory concentration against Enterococcus faecalis (STCO-19) | ChEMBL. | 2502627 |
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.
Bibliographic References
3 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.