Detailed information for compound 26203

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.288 | Formula: C15H15FN2O5
  • H donors: 3 H acceptors: 5 LogP: 1.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNC(=O)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O
  • InChi: 1S/C15H15FN2O5/c1-2-18-7-10(15(22)23)13(20)9-5-11(16)8(6-12(9)18)14(21)17-3-4-19/h5-7,19H,2-4H2,1H3,(H,17,21)(H,22,23)
  • InChiKey: GCAWGTWEXZQCTN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Schistosoma mansoni glutamate receptor NMDA 0.0236 0.4579 1
Loa Loa (eye worm) hypothetical protein 0.0365 1 1
Schistosoma mansoni glutamate receptor NMDA 0.0216 0.3745 0.8177
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0236 0.4579 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0236 0.4579 1
Leishmania major C-8 sterol isomerase-like protein 0.0365 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0137 0.0474 0.1034
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0137 0.0474 0.1034
Trypanosoma brucei C-8 sterol isomerase, putative 0.0365 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0187 0.2534 0.2534
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0137 0.0474 0.1034
Echinococcus multilocularis glutamate receptor 2 0.0137 0.0474 0.1034
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0137 0.0474 0.1034
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0365 1 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 50 ug ml-1 In vitro antibacterial activity against Escherichia coli Juhl ChEMBL. 2319566
MIC (functional) = 50 ug ml-1 In vitro antibacterial activity against Klebsiella pneumoniae 8045 ChEMBL. 2319566
MIC (functional) = 50 ug ml-1 In vitro antibacterial activity against Escherichia coli Juhl ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Staphylococcus aureus ATCC 6538P ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against S. aureus CMX 686B ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against S. aureus A5177 ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against S. aureus 45 ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Staphylococcus epidermidis 3519 ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Streptococcus faecium ATCC 8043 ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Streptococcus bovis A5169 ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Streptococcus agalactiae CMS 508 ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Streptococcus pyogenes 930 ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Enterobacter aerogenes ATCC 13048 ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Pseudomonas aeruginosa 5007 ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against P. aeruginosa K799/WT ChEMBL. 2319566
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Acinetobacter CMX 669 ChEMBL. 2319566

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.