Detailed information for compound 65757

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.341 | Formula: C16H20N2O4
  • H donors: 1 H acceptors: 3 LogP: 1.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(cc1)C(=O)C
  • InChi: 1S/C16H20N2O4/c1-3-4-15(20)17-9-14-10-18(16(21)22-14)13-7-5-12(6-8-13)11(2)19/h5-8,14H,3-4,9-10H2,1-2H3,(H,17,20)/t14-/m0/s1
  • InChiKey: MLXVOYKUSVWVGA-AWEZNQCLSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi GnHR receptor homolog 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi putative neuropeptide receptor 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi hypothetical protein 0.0221 0.034 0.5
Brugia malayi hypothetical protein 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0376 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0221 0.034 0.034
Brugia malayi hypothetical protein 0.0221 0.034 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi Dopamine receptor protein 1 0.0221 0.034 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi neuropeptide F receptor 0.0221 0.034 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0376 1 1
Brugia malayi G-protein coupled receptor 0.0221 0.034 0.5
Brugia malayi RE15519p 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi G protein-coupled receptor F59B2.13 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) neuropeptide F receptor 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi Tachykinin-like peptides receptor 99D 0.0221 0.034 0.5
Brugia malayi hypothetical protein 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) melatonin receptor type 1A 0.0221 0.034 0.034
Brugia malayi G protein-coupled receptor 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.037 0.9604 0.9604
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi hypothetical protein 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi Dopamine receptor 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi hypothetical protein 0.0221 0.034 0.5
Brugia malayi Serotonin receptor 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Giardia lamblia Hypothetical protein 0.0222 0.0396 0.5
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0222 0.0396 0.5
Giardia lamblia Hypothetical protein 0.0222 0.0396 0.5
Brugia malayi ORL1-like opioid receptor 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0221 0.034 0.034
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Mycobacterium ulcerans hypothetical protein 0.0222 0.0396 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi Melatonin receptor type 1A 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0376 1 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0376 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0221 0.034 0.034
Loa Loa (eye worm) TYRA-2 protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) neuropeptide F receptor 0.0221 0.034 0.034
Brugia malayi hypothetical protein 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) G-protein coupled receptor 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi hypothetical protein 0.0221 0.034 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0221 0.034 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0376 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0376 1 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Onchocerca volvulus 0.0376 1 1
Brugia malayi Dopamine receptor protein 2 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi Serotonin receptor 0.0221 0.034 0.5
Brugia malayi larval opioid receptor 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0221 0.034 0.034
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0222 0.0396 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi hypothetical protein 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi AKH receptor 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi sulfakinin receptor protein 0.0221 0.034 0.5
Brugia malayi hypothetical protein 0.0221 0.034 0.5
Schistosoma mansoni 6-phosphofructokinase 0.0376 1 1
Brugia malayi neuropeptide F receptor 0.0221 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0221 0.034 0.5
Brugia malayi G-protein coupled receptor 0.0221 0.034 0.5
Brugia malayi follicle stimulating hormone receptor 0.0221 0.034 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0221 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0221 0.034 0.034

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 8 ug ml-1 In vitro minimum inhibitory concentration against Staphylococcus aureus (SFCO-1a) ChEMBL. 2502627
MIC (functional) = 8 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.

External resources for this compound

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.