Detailed information for compound 2071795

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 277.342 | Formula: C13H15N3O2S
  • H donors: 2 H acceptors: 3 LogP: 0.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN(C(=O)Nc1ccncc1)Cc1cscc1
  • InChi: 1S/C13H15N3O2S/c17-7-6-16(9-11-3-8-19-10-11)13(18)15-12-1-4-14-5-2-12/h1-5,8,10,17H,6-7,9H2,(H,14,15,18)
  • InChiKey: ZIYVGPXWPITBJR-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
Trypanosoma cruzi hypothetical protein, conserved 0.0164 0.0036 0.5
Loa Loa (eye worm) hypothetical protein 0.0232 0.0233 0.0397
Echinococcus multilocularis beta galactosidase 0.0874 0.2092 0.2064
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0955 0.2329 1
Loa Loa (eye worm) hypothetical protein 0.0874 0.2092 0.3563
Onchocerca volvulus 0.0232 0.0233 0.0693
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0164 0.0036 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0164 0.0036 0.5
Onchocerca volvulus Trehalase homolog 0.0232 0.0233 0.0693
Loa Loa (eye worm) hypothetical protein 0.0232 0.0233 0.0397
Trypanosoma brucei glycosyl hydrolase-like protein 0.0164 0.0036 0.5
Brugia malayi Trehalase family protein 0.0232 0.0233 0.0339
Onchocerca volvulus 0.0232 0.0233 0.0693
Brugia malayi Trehalase family protein 0.0232 0.0233 0.0339
Brugia malayi Glycosyl hydrolases family 31 protein 0.171 0.4516 0.7676
Schistosoma mansoni alpha-glucosidase 0.171 0.4516 0.7676
Brugia malayi Trehalase family protein 0.0232 0.0233 0.0339
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0164 0.0036 0.5
Loa Loa (eye worm) hypothetical protein 0.0874 0.2092 0.3563
Loa Loa (eye worm) hypothetical protein 0.0164 0.0036 0.0061
Schistosoma mansoni alpha-l-fucosidase 0.2177 0.5872 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0267 0.0334 0.5
Onchocerca volvulus 0.1149 0.289 1
Leishmania major glycosyl hydrolase-like protein 0.0164 0.0036 0.5
Brugia malayi hypothetical protein 0.0232 0.0233 0.0339
Brugia malayi Alpha-L-fucosidase family protein 0.2177 0.5872 1
Schistosoma mansoni beta-galactosidase 0.0874 0.2092 0.3524
Leishmania major alpha glucosidase II subunit, putative 0.0164 0.0036 0.5
Loa Loa (eye worm) hypothetical protein 0.0232 0.0233 0.0397
Loa Loa (eye worm) trehalase 0.0232 0.0233 0.0397
Loa Loa (eye worm) trehalase 0.0232 0.0233 0.0397
Loa Loa (eye worm) hypothetical protein 0.0232 0.0233 0.0397
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0164 0.0036 0.5
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.3601 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.0036 0.0061
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0164 0.0036 0.5
Schistosoma mansoni alpha-glucosidase 0.171 0.4516 0.7676
Loa Loa (eye worm) trehalase 0.0232 0.0233 0.0397
Onchocerca volvulus 0.0232 0.0233 0.0693
Mycobacterium ulcerans alpha-L-fucosidase 0.3601 1 0.5
Loa Loa (eye worm) TRE-1 protein 0.0232 0.0233 0.0397
Onchocerca volvulus 0.0232 0.0233 0.0693
Loa Loa (eye worm) hypothetical protein 0.0232 0.0233 0.0397
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0164 0.0036 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.171 0.4516 0.4496
Trichomonas vaginalis trehalase, putative 0.0232 0.0233 0.0862
Onchocerca volvulus 0.0232 0.0233 0.0693
Loa Loa (eye worm) alpha-L-fucosidase 0.2177 0.5872 1
Echinococcus granulosus lysosomal alpha glucosidase 0.171 0.4516 0.4496
Echinococcus granulosus beta galactosidase 0.0874 0.2092 0.2064
Trypanosoma brucei glucosidase, putative 0.0164 0.0036 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.171 0.4516 0.4496
Plasmodium vivax hypothetical protein, conserved 0.0267 0.0334 0.5
Brugia malayi Trehalase family protein 0.0232 0.0233 0.0339
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0164 0.0036 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0232 0.0233 0.0862
Loa Loa (eye worm) TRE-2 protein 0.0232 0.0233 0.0397
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0955 0.2329 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.171 0.4516 0.769

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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