Detailed information for compound 782305

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.458 | Formula: C20H26N6O4
  • H donors: 1 H acceptors: 6 LogP: 4.34 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCOC(=C1C(=Nc2n(C1c1cccc(c1)[N+](=O)[O-])nnn2)C)O
  • InChi: 1S/C20H26N6O4/c1-3-4-5-6-7-8-12-30-19(27)17-14(2)21-20-22-23-24-25(20)18(17)15-10-9-11-16(13-15)26(28)29/h9-11,13,18,27H,3-8,12H2,1-2H3
  • InChiKey: KEGUEWWZDAFAAV-UHFFFAOYSA-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
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0059 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.4859 0.4859
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0058 0.9797 0.975
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0025 0.3092 0.1502
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.1871 0.1871
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0059 1 1
Loa Loa (eye worm) hypothetical protein 0.0059 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.1871 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0025 0.3092 0.1502
Toxoplasma gondii exonuclease III APE 0.0019 0.1871 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.1871 0.1871
Giardia lamblia Hypothetical protein 0.0035 0.5062 1
Giardia lamblia Hypothetical protein 0.0035 0.5062 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1871 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.1871 0.5
Schistosoma mansoni ap endonuclease 0.0019 0.1871 0.1871
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.1871 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0058 0.9797 0.975
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1871 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0059 1 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0059 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.1871 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.1871 0.1871
Schistosoma mansoni ap endonuclease 0.0019 0.1871 0.1871
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1871 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0025 0.3092 0.1502
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0035 0.5062 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.5062 1
Onchocerca volvulus 0.0059 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0059 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0058 0.9797 0.975
Schistosoma mansoni 6-phosphofructokinase 0.0059 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0058 0.9797 0.975
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0035 0.5062 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.9797 0.9797
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0025 0.3092 0.1502
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1871 0.5

Activities

No activities found for this compound.

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

No literature references available for this target.

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