Detailed information for compound 459332

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 441.417 | Formula: C19H15N5O6S
  • H donors: 2 H acceptors: 5 LogP: 2.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(o1)c1cccc(c1)[N+](=O)[O-])NNC1=NS(=O)(=O)c2c(N1C)cccc2
  • InChi: 1S/C19H15N5O6S/c1-23-14-7-2-3-8-17(14)31(28,29)22-19(23)21-20-18(25)16-10-9-15(30-16)12-5-4-6-13(11-12)24(26)27/h2-11H,1H3,(H,20,25)(H,21,22)
  • InChiKey: XIOYXKQGTFHVOE-UHFFFAOYSA-N  

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
Loa Loa (eye worm) hypothetical protein 0.0173 1 1
Brugia malayi Flap endonuclease-1 0.0173 0.9988 1
Loa Loa (eye worm) flap endonuclease-1 0.0173 0.9988 0.9988
Schistosoma mansoni flap endonuclease-1 0.0147 0.7801 0.7801
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0173 1 1
Entamoeba histolytica DNA-repair protein, putative 0.0173 1 1
Plasmodium vivax flap endonuclease 1, putative 0.0173 0.9988 0.9988
Plasmodium falciparum flap endonuclease 1 0.0173 0.9988 0.9988
Giardia lamblia Flap structure-specific endonuclease 0.0173 0.9988 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0173 0.9988 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0173 0.9988 1
Plasmodium vivax DNA repair protein RAD2, putative 0.0173 1 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0173 1 1
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0173 1 1
Brugia malayi XPG N-terminal domain containing protein 0.0144 0.7561 0.757
Plasmodium falciparum DNA repair protein RAD2, putative 0.0173 1 1
Echinococcus multilocularis flap endonuclease 1 0.0173 0.9988 0.9988
Echinococcus granulosus flap endonuclease 1 0.0173 0.9988 0.9988
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0173 0.9988 1
Entamoeba histolytica Flap nuclease, putative 0.0173 0.9988 0.9988
Trichomonas vaginalis flap endonuclease-1, putative 0.0173 0.9988 0.9988
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0173 0.9988 0.9988
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family 0.0173 1 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 18.75 ug ml-1 Antibacterial activity against Staphylococcus aureus MTCC 96 by broth dilution method ChEMBL. 17692520
MIC (functional) = 18.75 ug ml-1 Antibacterial activity against Escherichia coli MTCC 443 by broth dilution method ChEMBL. 17692520
MIC (functional) = 18.75 ug ml-1 Antibacterial activity against Escherichia coli MTCC 443 by broth dilution method ChEMBL. 17692520
MIC (functional) = 37.5 ug ml-1 Antibacterial activity against Bacillus subtilis MTCC 441 by broth dilution method ChEMBL. 17692520
MIC (functional) = 75 ug ml-1 Antibacterial activity against Pseudomonas aeruginosa MTCC 1688 by broth dilution method ChEMBL. 17692520
MIC (functional) > 100 ug ml-1 Antibacterial activity against Mycobacterium tuberculosis H37Rv by nitrate reductase assay ChEMBL. 17692520
MIC (functional) > 100 ug ml-1 Antibacterial activity against Mycobacterium tuberculosis H37Rv by nitrate reductase assay ChEMBL. 17692520

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.