Detailed information for compound 825090

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 284.441 | Formula: C13H20N2OS2
  • H donors: 1 H acceptors: 1 LogP: 2.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCNC(=O)c1sc2c(c1)CSC2)CC
  • InChi: 1S/C13H20N2OS2/c1-3-15(4-2)6-5-14-13(16)11-7-10-8-17-9-12(10)18-11/h7H,3-6,8-9H2,1-2H3,(H,14,16)
  • InChiKey: QOVQKUYDYJPYIC-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
Trichomonas vaginalis glucosylceramidase, putative 0.4674 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.2144 0.3358 0.3689
Schistosoma mansoni bile acid beta-glucosidase-related 0.3767 0.7619 0.7469
Onchocerca volvulus 0.1521 0.1723 0.0279
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.2144 0.3358 0.3358
Echinococcus multilocularis ceramide glucosyltransferase 0.4318 0.9063 1
Schistosoma mansoni ceramide glucosyltransferase 0.4318 0.9063 1
Echinococcus granulosus aminopeptidase N 0.1521 0.1723 0.188
Loa Loa (eye worm) hypothetical protein 0.129 0.1117 0.1117
Plasmodium falciparum M17 leucyl aminopeptidase 0.0873 0.0023 0.5
Schistosoma mansoni bile acid beta-glucosidase-related 0.3767 0.7619 0.7469
Giardia lamblia Ceramide glucosyltransferase 0.1957 0.2869 0.5
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0873 0.0023 0.5
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.4318 0.9063 1
Echinococcus granulosus lysosomal alpha glucosidase 0.2144 0.3358 0.3689
Echinococcus granulosus bile acid beta glucosidase 0.3767 0.7619 0.8403
Chlamydia trachomatis cytosol aminopeptidase 0.0873 0.0023 0.5
Toxoplasma gondii leucyl aminopeptidase LAP 0.0873 0.0023 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.4674 1 1
Echinococcus granulosus non lysosomal glucosylceramidase 0.3767 0.7619 0.8403
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0873 0.0023 0.5
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0873 0.0023 0.5
Schistosoma mansoni ceramide glucosyltransferase 0.4318 0.9063 1
Onchocerca volvulus Glucosylceramidase homolog 0.3067 0.5781 0.5653
Mycobacterium ulcerans leucyl aminopeptidase 0.0873 0.0023 0.5
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0873 0.0023 0.5
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.4674 1 1
Echinococcus multilocularis aminopeptidase N 0.1521 0.1723 0.188
Trichomonas vaginalis glucosylceramidase, putative 0.3232 0.6215 0.1027
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0873 0.0023 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.3232 0.6215 0.1027
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0873 0.0023 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.2144 0.3358 0.1975
Loa Loa (eye worm) hypothetical protein 0.2543 0.4406 0.4406
Loa Loa (eye worm) peptidase family M1 containing protein 0.1095 0.0606 0.0606
Trichomonas vaginalis glucosylceramidase, putative 0.4674 1 1
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0873 0.0023 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.4674 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.4674 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.4674 1 1
Echinococcus granulosus ceramide glucosyltransferase 0.4318 0.9063 1
Echinococcus multilocularis bile acid beta glucosidase 0.3767 0.7619 0.8403
Loa Loa (eye worm) ceramide glucosyltransferase 0.4318 0.9063 0.9063
Brugia malayi Ceramide glucosyltransferase 0.4318 0.9063 0.8868
Echinococcus multilocularis lysosomal alpha glucosidase 0.2144 0.3358 0.3689
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0873 0.0023 0.5
Echinococcus multilocularis non lysosomal glucosylceramidase 0.3767 0.7619 0.8403

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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