Detailed information for compound 277637

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.396 | Formula: C17H14N6O4S
  • H donors: 3 H acceptors: 7 LogP: 1.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccc1c1nn[nH]n1
  • InChi: 1S/C17H14N6O4S/c1-23-14(15(24)11-7-3-5-9-13(11)28(23,26)27)17(25)18-12-8-4-2-6-10(12)16-19-21-22-20-16/h2-9,24H,1H3,(H,18,25)(H,19,20,21,22)
  • InChiKey: ARJWLBJPNCRVTH-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
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0698 0.5
Loa Loa (eye worm) hypothetical protein 0.0076 0.358 0.3099
Mycobacterium leprae probable zinc metalloprotease 0.0103 0.5535 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.0076 0.358 0.3099
Loa Loa (eye worm) hypothetical protein 0.0103 0.5535 0.52
Schistosoma mansoni alpha glucosidase 0.0037 0.0698 0.0837
Trypanosoma brucei glucosidase, putative 0.0037 0.0698 0.5
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0052 0.1824 0.2189
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0052 0.1824 0.2189
Schistosoma mansoni alpha-glucosidase 0.0142 0.8335 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.3711 0.3239
Loa Loa (eye worm) hypothetical protein 0.0076 0.358 0.3099
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0698 0.5
Echinococcus granulosus endothelin converting enzyme 1 0.0103 0.5535 0.52
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0103 0.5535 0.52
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0698 0.5
Mycobacterium ulcerans zinc metalloprotease 0.0103 0.5535 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.0076 0.358 0.3099
Loa Loa (eye worm) hypothetical protein 0.0078 0.3711 0.3239
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0698 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.3711 0.3239
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0103 0.5535 0.5
Schistosoma mansoni neprilysin-2 (M13 family) 0.0052 0.1824 0.2189
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0698 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0698 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.3711 0.3239
Loa Loa (eye worm) hypothetical protein 0.0103 0.5535 0.52
Loa Loa (eye worm) hypothetical protein 0.0076 0.358 0.3099
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0698 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 1 1
Brugia malayi Peptidase family M13 containing protein 0.0103 0.5535 0.52
Loa Loa (eye worm) hypothetical protein 0.0051 0.1756 0.1137
Onchocerca volvulus 0.0095 0.496 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0103 0.5535 0.6641
Echinococcus granulosus lysosomal alpha glucosidase 0.0165 1 1
Toxoplasma gondii peptidase family M13 protein 0.0103 0.5535 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.3711 0.3239
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.3711 0.3239
Loa Loa (eye worm) hypothetical protein 0.0076 0.358 0.3099
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0052 0.1824 0.2189
Schistosoma mansoni alpha-glucosidase 0.0142 0.8335 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0698 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0698 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0698 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.5535 0.52
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0698 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0698 0.5
Echinococcus multilocularis endothelin converting enzyme 1 0.0103 0.5535 0.52
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0698 0.5
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0052 0.1824 0.2189
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0698 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % Compound was evaluated for the inhibition of biosynthesis of prostaglandins at a concentration of 10e3 M ChEMBL. No reference
Inhibition (functional) = 0 % Compound was evaluated for the inhibition of biosynthesis of prostaglandins at a concentration of 10e4 M ChEMBL. No reference
Inhibition (functional) = 0 % Compound was evaluated for the inhibition of biosynthesis of prostaglandins at a concentration of 10e5 M ChEMBL. No reference
Inhibition (functional) = 102.7 % Compound was evaluated for the inhibition of histamine release from rat peritoneal exudate cells induced by antigen-antibody reaction at 2 x 10 e 4 M concentration of the compound ChEMBL. No reference
Ulcer index (functional) = 0 mM Compound was assessed for ulcerogensity in rats at a dose of 300 mg/kg ChEMBL. No reference
Ulcer index (functional) = 0 mM Compound was assessed for ulcerogensity in rats at a dose of 500 mg/kg 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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