Detailed information for compound 956879

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 252.25 | Formula: C9H8N4O3S
  • H donors: 3 H acceptors: 3 LogP: 1.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)Nc1cc2c(s1)ccc(c2)[N+](=O)[O-]
  • InChi: 1S/C9H8N4O3S/c10-12-9(14)11-8-4-5-3-6(13(15)16)1-2-7(5)17-8/h1-4H,10H2,(H2,11,12,14)
  • InChiKey: UHKUIJJADXRPQM-UHFFFAOYSA-N  


Substructure search Similarity search

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
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0028 0.0813 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0028 0.0813 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.0028 0.0813 0.5
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0028 0.0813 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0025 0.0545 0.5
Schistosoma mansoni tar DNA-binding protein 0.0048 0.2644 0.1993
Plasmodium vivax ataxin-2 like protein, putative 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0048 0.2644 0.1993
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0028 0.0813 1
Loa Loa (eye worm) TAR-binding protein 0.0048 0.2644 1
Echinococcus multilocularis geminin 0.0128 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0028 0.0813 1
Schistosoma mansoni hypothetical protein 0.0128 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0048 0.2644 1
Schistosoma mansoni tar DNA-binding protein 0.0048 0.2644 0.1993
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0028 0.0813 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0048 0.2644 0.1993
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0048 0.2644 1
Echinococcus multilocularis tar DNA binding protein 0.0048 0.2644 0.1993
Schistosoma mansoni hypothetical protein 0.0128 1 1
Brugia malayi RNA binding protein 0.0048 0.2644 1
Loa Loa (eye worm) RNA binding protein 0.0048 0.2644 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0028 0.0813 0.5
Brugia malayi Inositol-1 0.0028 0.0813 0.3075
Schistosoma mansoni tar DNA-binding protein 0.0048 0.2644 0.1993
Loa Loa (eye worm) inositol-1 0.0028 0.0813 0.3075
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0028 0.0813 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0028 0.0813 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0019 0 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0028 0.0813 0.5
Brugia malayi TAR-binding protein 0.0048 0.2644 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0025 0.0545 0.5
Echinococcus granulosus tar DNA binding protein 0.0048 0.2644 0.1993

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -43.41 % Analgesic activity in Swiss albino mouse assessed as inhibition of acetic acid-induced abdominal constriction at 25 mg/kg, sc administered 30 mins prior to acetic acid challenge measured for 30 mins relative to control ChEMBL. 18433939

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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