Detailed information for compound 808253

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.54 | Formula: C21H21N3O2S2
  • H donors: 0 H acceptors: 3 LogP: 3.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1scc(n1)C(=O)N1CCN(C(=O)CC1)Cc1ccc2c(c1)cccc2
  • InChi: 1S/C21H21N3O2S2/c1-27-21-22-18(14-28-21)20(26)23-9-8-19(25)24(11-10-23)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,14H,8-11,13H2,1H3
  • InChiKey: DDBBKENJMNHWPZ-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 0.05 0.2876 0.5085
Leishmania major alpha glucosidase II subunit, putative 0.0284 0.0707 0.5
Echinococcus granulosus ceramide glucosyltransferase 0.0695 0.4825 0.4553
Trichomonas vaginalis glucosylceramidase, putative 0.05 0.2876 0.5085
Trichomonas vaginalis maltase-glucoamylase, putative 0.0284 0.0707 0.1033
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0263 0.0499 0.0415
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0695 0.4825 0.8016
Trichomonas vaginalis glucosylceramidase, putative 0.0527 0.3146 0.559
Giardia lamblia Ceramide glucosyltransferase 0.0315 0.1016 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0284 0.0707 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0763 0.5505 1
Loa Loa (eye worm) ceramide glucosyltransferase 0.0695 0.4825 0.4744
Trichomonas vaginalis glucosylceramidase, putative 0.0763 0.5505 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.1211 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0284 0.0707 1
Trichomonas vaginalis glucosylceramidase, putative 0.05 0.2876 0.5085
Trichomonas vaginalis glucosylceramidase, putative 0.05 0.2876 0.5085
Trichomonas vaginalis glucosylceramidase, putative 0.0763 0.5505 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0284 0.0707 0.1033
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0263 0.0499 0.0415
Loa Loa (eye worm) hypothetical protein 0.0361 0.1474 0.134
Brugia malayi Glycosyl hydrolases family 31 protein 0.0284 0.0707 0.0561
Echinococcus multilocularis lysosomal alpha glucosidase 0.1211 1 1
Echinococcus granulosus beta galactosidase 0.0361 0.1474 0.1026
Trichomonas vaginalis beta-galactosidase, putative 0.0316 0.1028 0.1632
Trichomonas vaginalis glucosylceramidase, putative 0.0763 0.5505 1
Trichomonas vaginalis glucosylceramidase, putative 0.0763 0.5505 1
Schistosoma mansoni ceramide glucosyltransferase 0.0695 0.4825 0.563
Echinococcus granulosus neutral alpha glucosidase AB 0.0284 0.0707 0.0219
Trichomonas vaginalis glucosylceramidase, putative 0.05 0.2876 0.5085
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0284 0.0707 0.0561
Schistosoma mansoni beta-galactosidase 0.0361 0.1474 0.159
Echinococcus multilocularis beta galactosidase 0.0361 0.1474 0.1026
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0263 0.0499 0.0415
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0284 0.0707 0.1033
Trypanosoma brucei glucosidase, putative 0.0284 0.0707 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0284 0.0707 0.1033
Onchocerca volvulus 0.0743 0.5308 1
Echinococcus multilocularis ceramide glucosyltransferase 0.0695 0.4825 0.4553
Schistosoma mansoni alpha-glucosidase 0.1057 0.845 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0284 0.0707 0.0219
Trichomonas vaginalis glycoside hydrolase, putative 0.0505 0.2922 0.5172
Trichomonas vaginalis glucosylceramidase, putative 0.0527 0.3146 0.559
Trichomonas vaginalis alpha-glucosidase, putative 0.0284 0.0707 0.1033
Trypanosoma cruzi hypothetical protein, conserved 0.0284 0.0707 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0284 0.0707 0.1033
Trichomonas vaginalis conserved hypothetical protein 0.0316 0.1028 0.1632
Schistosoma mansoni ceramide glucosyltransferase 0.0695 0.4825 0.563
Trichomonas vaginalis glucosylceramidase, putative 0.0763 0.5505 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0284 0.0707 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1211 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.05 0.2876 0.5085
Schistosoma mansoni alpha-glucosidase 0.1057 0.845 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0284 0.0707 0.1033
Brugia malayi Ceramide glucosyltransferase 0.0695 0.4825 0.4744
Trichomonas vaginalis alpha-glucosidase, putative 0.0284 0.0707 0.1033
Trichomonas vaginalis glucosylceramidase, putative 0.05 0.2876 0.5085
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0763 0.5505 0.5434
Loa Loa (eye worm) hypothetical protein 0.0543 0.3298 0.3192
Trichomonas vaginalis alpha-glucosidase, putative 0.0284 0.0707 0.1033
Echinococcus granulosus lysosomal alpha glucosidase 0.1211 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0284 0.0707 1
Schistosoma mansoni hypothetical protein 0.03 0.0865 0.0856
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0763 0.5505 0.5434
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0263 0.0499 0.0415
Schistosoma mansoni alpha glucosidase 0.0284 0.0707 0.0666

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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