Detailed information for compound 1799044

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 479.452 | Formula: C26H25BrNOS+
  • H donors: 1 H acceptors: 1 LogP: 7.75 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)[S+](c1c[n+](CCCCCc2ccccc2)c2c(c1)cccc2)[O-]
  • InChi: 1S/C26H25BrNOS/c27-23-14-16-24(17-15-23)30(29)25-19-22-12-6-7-13-26(22)28(20-25)18-8-2-5-11-21-9-3-1-4-10-21/h1,3-4,6-7,9-10,12-17,19-20H,2,5,8,11,18H2/q+1
  • InChiKey: AFQCKDADMUSMEP-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
Loa Loa (eye worm) hypothetical protein 0.0289 0.0931 0.0931
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0192 0.003 0.5
Loa Loa (eye worm) trehalase 0.0289 0.0931 0.0931
Schistosoma mansoni beta-galactosidase 0.063 0.4087 1
Loa Loa (eye worm) hypothetical protein 0.0289 0.0931 0.0931
Onchocerca volvulus 0.0289 0.0931 0.5083
Loa Loa (eye worm) TRE-2 protein 0.0289 0.0931 0.0931
Loa Loa (eye worm) hypothetical protein 0.0289 0.0931 0.0931
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0572 0.3555 0.3555
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0291 0.0948 0.0948
Onchocerca volvulus 0.0385 0.1813 1
Loa Loa (eye worm) hypothetical protein 0.0289 0.0931 0.0931
Onchocerca volvulus 0.0289 0.0931 0.5083
Trichomonas vaginalis conserved hypothetical protein 0.0289 0.0931 0.9811
Onchocerca volvulus 0.0289 0.0931 0.5083
Echinococcus granulosus beta galactosidase 0.063 0.4087 0.2281
Trichomonas vaginalis glucosylceramidase, putative 0.0291 0.0948 1
Plasmodium vivax hypothetical protein, conserved 0.0192 0.003 0.5
Echinococcus multilocularis beta galactosidase 0.063 0.4087 0.2281
Loa Loa (eye worm) trehalase 0.0289 0.0931 0.0931
Loa Loa (eye worm) hypothetical protein 0.063 0.4087 0.4087
Onchocerca volvulus 0.0289 0.0931 0.5083
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0824 0.5888 1
Trichomonas vaginalis glucosylceramidase, putative 0.0291 0.0948 1
Loa Loa (eye worm) hypothetical protein 0.0289 0.0931 0.0931
Trichomonas vaginalis glucosylceramidase, putative 0.0291 0.0948 1
Onchocerca volvulus Trehalase homolog 0.0289 0.0931 0.5083
Trichomonas vaginalis glucosylceramidase, putative 0.0201 0.0114 0.1027
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0824 0.5888 1
Trichomonas vaginalis trehalase, putative 0.0289 0.0931 0.9811
Trichomonas vaginalis glucosylceramidase, putative 0.0291 0.0948 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0291 0.0948 0.0067
Onchocerca volvulus 0.0289 0.0931 0.5083
Trichomonas vaginalis glucosylceramidase, putative 0.0291 0.0948 1
Loa Loa (eye worm) trehalase 0.0289 0.0931 0.0931
Loa Loa (eye worm) TRE-1 protein 0.0289 0.0931 0.0931
Trichomonas vaginalis glucosylceramidase, putative 0.0291 0.0948 1
Trichomonas vaginalis glucosylceramidase, putative 0.0201 0.0114 0.1027
Brugia malayi Glycosyl hydrolases family 31 protein 0.0572 0.3555 1

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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