Detailed information for compound 1848787

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 292.31 | Formula: C13H12N2O4S
  • H donors: 2 H acceptors: 4 LogP: 2.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1C)/N=N/c1ccc(cc1)S(=O)(=O)O
  • InChi: 1S/C13H12N2O4S/c1-9-8-11(4-7-13(9)16)15-14-10-2-5-12(6-3-10)20(17,18)19/h2-8,16H,1H3,(H,17,18,19)/b15-14+
  • InChiKey: HVFDEWUPMDGDAM-CCEZHUSRSA-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
Plasmodium vivax ubiquitin-activating enzyme E1C, putative 0.0246 0.2564 0.5
Trypanosoma cruzi ribonuclease H1, putative 0.0138 0.11 0.3309
Trypanosoma brucei unspecified product 0.0153 0.1305 0.1174
Schistosoma mansoni adenosine kinase 0.0084 0.0376 0.0376
Trypanosoma brucei ingi protein (ORF1) 0.0153 0.1305 0.1174
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0138 0.11 0.5
Plasmodium falciparum NEDD8-activating enzyme E1 catalytic subunit, putative 0.0246 0.2564 0.5
Brugia malayi RNase H family protein 0.0138 0.11 0.0752
Toxoplasma gondii ribonuclease HI protein 0.0138 0.11 0.0752
Schistosoma mansoni hypothetical protein 0.0668 0.8291 0.8291
Echinococcus granulosus ribonuclease H1 0.0138 0.11 0.0752
Trypanosoma brucei hypothetical protein, conserved 0.0153 0.1305 0.1174
Brugia malayi RNase H family protein 0.0138 0.11 0.0752
Trypanosoma brucei ribonuclease H1 0.0138 0.11 0.0915
Leishmania major ubiquitin activating enzyme, putative 0.0246 0.2564 1
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0573 0.6998 1
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0246 0.2564 1
Trypanosoma brucei NEDD8 activating enzyme subunit, putative 0.0246 0.2564 0.2764
Trypanosoma cruzi ribonuclease H1, putative 0.0138 0.11 0.3309
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0246 0.2564 1
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit 0.0794 1 1
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit 0.0794 1 1
Schistosoma mansoni ubiquitin-activating enzyme E1C 0.0794 1 1
Trypanosoma brucei RNA helicase, putative 0.0668 0.8291 1
Onchocerca volvulus Ribonuclease H1 homolog 0.0138 0.11 1
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit 0.0794 1 1
Brugia malayi RNase H family protein 0.0138 0.11 0.0752
Leishmania major ribonuclease H1, putative 0.0138 0.11 0.3309
Treponema pallidum ribonuclease H (rnhA) 0.0138 0.11 0.5
Trypanosoma brucei ingi protein (ORF1) 0.0153 0.1305 0.1174
Schistosoma mansoni phosphoglucomutase 0.0138 0.11 0.11
Giardia lamblia Ribonuclease H 0.0138 0.11 0.5
Schistosoma mansoni adenosine kinase 0.0084 0.0376 0.0376
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0794 1 0.5
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 0.0794 1 1
Schistosoma mansoni phosphoglucomutase 0.0138 0.11 0.11
Schistosoma mansoni phosphoglucomutase 0.0138 0.11 0.11
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0153 0.1305 0.1174
Echinococcus multilocularis ribonuclease H1 0.0138 0.11 0.0752
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative 0.0246 0.2564 0.2483

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) > 85 % Inhibition of p53-induced p21 expression in human U2OS cells at 50 uM by luciferase reporter gene assay ChEMBL. No reference

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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