Detailed information for compound 974256

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 389.383 | Formula: C17H15N3O6S
  • H donors: 4 H acceptors: 5 LogP: 1.67 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=N/NC(=O)C2=C(O)c3c(S(=O)(=O)N2)cccc3)ccc1O
  • InChi: 1S/C17H15N3O6S/c1-26-13-8-10(6-7-12(13)21)9-18-19-17(23)15-16(22)11-4-2-3-5-14(11)27(24,25)20-15/h2-9,20-22H,1H3,(H,19,23)/b18-9+
  • InChiKey: ZXYUEFHGWHBTHU-GIJQJNRQSA-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 0.0616 0.5863 0.5863
Echinococcus multilocularis FTZ F1 alpha 0.0616 0.5863 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0616 0.5863 0.5863
Echinococcus granulosus FTZ F1 alpha 0.0616 0.5863 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0616 0.5863 0.5752
Brugia malayi hexokinase 0.0457 0.2803 0.2611
Entamoeba histolytica hexokinase 1 0.0457 0.2803 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0616 0.5863 0.5752
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0616 0.5863 0.5752
Schistosoma mansoni nuclear hormone receptor 0.0616 0.5863 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0616 0.5863 0.5752
Echinococcus multilocularis hexokinase 0.0457 0.2803 0.4539
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0616 0.5863 0.5752
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0616 0.5863 1
Schistosoma mansoni hexokinase 0.0457 0.2803 0.4539
Schistosoma mansoni RAR-like nuclear receptor 0.0616 0.5863 1
Brugia malayi ecdysteroid receptor 0.0616 0.5863 0.5752
Leishmania major hexokinase, putative 0.0457 0.2803 0.5
Trypanosoma cruzi hexokinase, putative 0.0457 0.2803 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0616 0.5863 0.5863
Echinococcus granulosus hexokinase type 2 0.0457 0.2803 0.4539
Echinococcus granulosus hexokinase 0.0457 0.2803 0.4539
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0616 0.5863 1
Loa Loa (eye worm) hexokinase 0.0457 0.2803 0.2803
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0616 0.5863 1
Plasmodium falciparum hexokinase 0.0457 0.2803 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0616 0.5863 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0616 0.5863 0.5752
Echinococcus granulosus ecdysone induced protein 78C 0.0616 0.5863 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0616 0.5863 1
Brugia malayi nuclear hormone receptor 0.0616 0.5863 0.5752
Loa Loa (eye worm) hypothetical protein 0.0616 0.5863 0.5863
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0616 0.5863 1
Schistosoma mansoni thyroid hormone receptor 0.0616 0.5863 1
Echinococcus granulosus hexokinase 0.0457 0.2803 0.4539
Echinococcus multilocularis ecdysone induced protein 78C 0.0616 0.5863 1
Loa Loa (eye worm) hexokinase 0.0457 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0326 0.026 0.026
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0616 0.5863 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0616 0.5863 1
Entamoeba histolytica hexokinase 2 0.0457 0.2803 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0616 0.5863 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0616 0.5863 0.5863
Loa Loa (eye worm) hexokinase type II 0.0457 0.2803 0.2803
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0765 0.8728 1
Schistosoma mansoni coup transcription factor 0.0616 0.5863 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0439 0.2454 0.2454
Brugia malayi nuclear hormone receptor 0.0439 0.2454 0.2252
Loa Loa (eye worm) hypothetical protein 0.0616 0.5863 0.5863
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0616 0.5863 1
Loa Loa (eye worm) steroid hormone receptor 0.0831 1 1
Onchocerca volvulus 0.0616 0.5863 0.5164
Loa Loa (eye worm) hypothetical protein 0.0326 0.026 0.026
Schistosoma mansoni steroid hormone receptor ad4bp 0.0616 0.5863 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0326 0.026 0.026
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0616 0.5863 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0616 0.5863 0.5752
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0616 0.5863 0.5752
Loa Loa (eye worm) hypothetical protein 0.0326 0.026 0.026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0616 0.5863 0.5863
Toxoplasma gondii hexokinase 0.0457 0.2803 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0616 0.5863 0.5164
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0616 0.5863 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0616 0.5863 1
Brugia malayi Hexokinase family protein 0.0457 0.2803 0.2611
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0616 0.5863 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0616 0.5863 0.5863
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0616 0.5863 0.5863
Echinococcus multilocularis hexokinase 0.0457 0.2803 0.4539
Loa Loa (eye worm) hypothetical protein 0.0616 0.5863 0.5863
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0616 0.5863 0.5752
Brugia malayi Nuclear hormone receptor-like 1 0.0616 0.5863 0.5752
Echinococcus multilocularis hexokinase type 2 0.0457 0.2803 0.4539
Brugia malayi nuclear receptor NHR-88 0.0616 0.5863 0.5752
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0616 0.5863 1
Plasmodium vivax hexokinase, putative 0.0457 0.2803 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0616 0.5863 0.5752
Echinococcus granulosus hexokinase 0.0457 0.2803 0.4539
Treponema pallidum hexokinase (hxk) 0.0457 0.2803 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0616 0.5863 0.5752
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0616 0.5863 0.5752
Echinococcus granulosus thyroid hormone receptor alpha 0.0505 0.3726 0.6185
Leishmania major hexokinase, putative 0.0457 0.2803 0.5
Loa Loa (eye worm) hypothetical protein 0.0616 0.5863 0.5863
Schistosoma mansoni thyroid hormone receptor 0.0616 0.5863 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0616 0.5863 0.5164
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0616 0.5863 1
Loa Loa (eye worm) hypothetical protein 0.0616 0.5863 0.5863
Trypanosoma cruzi hexokinase, putative 0.0457 0.2803 0.5
Trypanosoma brucei hexokinase 0.0457 0.2803 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0616 0.5863 0.5752
Loa Loa (eye worm) hypothetical protein 0.0326 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0616 0.5863 0.5863
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0616 0.5863 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0616 0.5863 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0616 0.5863 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0616 0.5863 0.5863
Loa Loa (eye worm) hypothetical protein 0.0616 0.5863 0.5863
Trypanosoma brucei hexokinase, putative 0.0457 0.2803 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0616 0.5863 0.5752
Loa Loa (eye worm) hypothetical protein 0.0326 0.026 0.026
Echinococcus multilocularis hexokinase 0.0457 0.2803 0.4539
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0616 0.5863 0.5752
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0616 0.5863 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0616 0.5863 1
Trypanosoma brucei hexokinase 0.0457 0.2803 0.5

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) Antibacterial activity against Escherichia coli at 1 mg/ml by agar well diffusion method ChEMBL. 18804313

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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