Detailed information for compound 2071793

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.417 | Formula: C17H19N3O2S
  • H donors: 1 H acceptors: 2 LogP: 1.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C1CCN(C1=O)c1ccccc1)C)NCc1cscc1
  • InChi: 1S/C17H19N3O2S/c1-19(17(22)18-11-13-8-10-23-12-13)15-7-9-20(16(15)21)14-5-3-2-4-6-14/h2-6,8,10,12,15H,7,9,11H2,1H3,(H,18,22)
  • InChiKey: KXLRJXVGWDNMCP-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
Loa Loa (eye worm) trehalase 0.0153 0.0221 0.0191
Trichomonas vaginalis glycogen phosphorylase, putative 0.0085 0.0092 0.0126
Brugia malayi Glycosyl hydrolases family 31 protein 0.0589 0.1052 0.1025
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.5268 0.997 0.997
Echinococcus multilocularis beta galactosidase 0.077 0.1396 0.1316
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0523 0.0927 0.1265
Chlamydia trachomatis glycogen phosphorylase 0.0085 0.0092 0.5
Schistosoma mansoni alpha glucosidase 0.0589 0.1052 0.1066
Treponema pallidum hypothetical protein 0.0053 0.003 0.5
Brugia malayi Trehalase family protein 0.0153 0.0221 0.0191
Echinococcus granulosus fucosidase alpha L 1 tissue 0.5268 0.997 0.997
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0589 0.1052 0.1025
Brugia malayi Trehalase family protein 0.0153 0.0221 0.0191
Brugia malayi Trehalase family protein 0.0153 0.0221 0.0191
Loa Loa (eye worm) TRE-2 protein 0.0153 0.0221 0.0191
Mycobacterium ulcerans glycosyl hydrolase 0.0074 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.012 0.009
Trichomonas vaginalis alpha-glucosidase, putative 0.0589 0.1052 0.3917
Brugia malayi Glycosyl hydrolases family 31 protein 0.0523 0.0927 0.0899
Onchocerca volvulus 0.0153 0.0221 0.0234
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0589 0.1052 0.3917
Leishmania major glycosyl hydrolase-like protein 0.0523 0.0927 0.8724
Trichomonas vaginalis glucosylceramidase, putative 0.0072 0.0068 0.0028
Plasmodium vivax hypothetical protein, conserved 0.0235 0.0378 0.5
Loa Loa (eye worm) hypothetical protein 0.0153 0.0221 0.0191
Onchocerca volvulus Glycogen phosphorylase homolog 0.0085 0.0092 0.0047
Trichomonas vaginalis glycogen phosphorylase, putative 0.0085 0.0092 0.0126
Schistosoma mansoni alpha-glucosidase 0.5218 0.9875 1
Onchocerca volvulus Trehalase homolog 0.0153 0.0221 0.0234
Giardia lamblia Glycogen phosphorylase 0.0085 0.0092 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0085 0.0092 0.0877
Trichomonas vaginalis alpha-glucosidase, putative 0.0589 0.1052 0.3917
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0589 0.1052 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.0221 0.0191
Loa Loa (eye worm) hypothetical protein 0.0523 0.0927 0.0899
Trichomonas vaginalis maltase-glucoamylase, putative 0.0589 0.1052 0.3917
Trichomonas vaginalis glucosylceramidase, putative 0.0072 0.0068 0.0028
Trichomonas vaginalis glucosylceramidase, putative 0.0105 0.0129 0.0271
Trichomonas vaginalis alpha-glucosidase, putative 0.0523 0.0927 0.3422
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0235 0.0378 0.5
Schistosoma mansoni alpha-glucosidase 0.5218 0.9875 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.0221 0.0191
Onchocerca volvulus 0.0153 0.0221 0.0234
Onchocerca volvulus 0.0153 0.0221 0.0234
Trichomonas vaginalis trehalase, putative 0.0153 0.0221 0.0632
Trypanosoma cruzi hypothetical protein, conserved 0.0589 0.1052 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.5284 1 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0589 0.1052 0.5
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0105 0.0129 0.0099
Brugia malayi hypothetical protein 0.0153 0.0221 0.0191
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0523 0.0927 0.8809
Loa Loa (eye worm) hypothetical protein 0.0153 0.0221 0.0191
Trichomonas vaginalis alpha-glucosidase, putative 0.0523 0.0927 0.3422
Trypanosoma brucei glycosyl hydrolase-like protein 0.0523 0.0927 0.8724
Loa Loa (eye worm) trehalase 0.0153 0.0221 0.0191
Echinococcus multilocularis neutral alpha glucosidase AB 0.0589 0.1052 0.0969
Schistosoma mansoni glycogen phosphorylase 0.0085 0.0092 0.0094
Trichomonas vaginalis glucosylceramidase, putative 0.0105 0.0129 0.0271
Loa Loa (eye worm) TRE-1 protein 0.0153 0.0221 0.0191
Schistosoma mansoni glycogen phosphorylase 0.0085 0.0092 0.0094
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0105 0.0129 0.0099
Trichomonas vaginalis alpha-glucosidase, putative 0.0523 0.0927 0.3422
Echinococcus granulosus lysosomal alpha glucosidase 0.5284 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0589 0.1052 0.3917
Mycobacterium leprae Possible hydrolase 0.0074 0.0071 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.1397 0.2593 1
Loa Loa (eye worm) hypothetical protein 0.077 0.1396 0.137
Mycobacterium tuberculosis Conserved protein 0.0074 0.0071 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0589 0.1052 0.0969
Loa Loa (eye worm) hypothetical protein 0.077 0.1396 0.137
Echinococcus multilocularis lysosomal alpha glucosidase 0.5284 1 1
Brugia malayi Alpha-L-fucosidase family protein 0.3185 0.6001 0.5988
Trichomonas vaginalis conserved hypothetical protein 0.0153 0.0221 0.0632
Trypanosoma brucei glucosidase, putative 0.0589 0.1052 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0523 0.0927 0.3422
Trypanosoma cruzi hypothetical protein, conserved 0.0589 0.1052 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0085 0.0092 0.0877
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0523 0.0927 0.3422
Trichomonas vaginalis alpha-L-fucosidase, putative 0.1397 0.2593 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0589 0.1052 0.3917
Trichomonas vaginalis alpha-glucosidase, putative 0.0523 0.0927 0.3422
Trichomonas vaginalis glucosylceramidase, putative 0.0105 0.0129 0.0271
Echinococcus granulosus beta galactosidase 0.077 0.1396 0.1316
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.5284 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0589 0.1052 0.3917
Schistosoma mansoni beta-galactosidase 0.077 0.1396 0.1414
Leishmania major alpha glucosidase II subunit, putative 0.0589 0.1052 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0523 0.0927 0.3422
Onchocerca volvulus 0.0153 0.0221 0.0234
Loa Loa (eye worm) trehalase 0.0153 0.0221 0.0191
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0523 0.0927 0.8724
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0589 0.1052 1
Schistosoma mansoni alpha-l-fucosidase 0.3185 0.6001 0.6077
Trichomonas vaginalis glucosylceramidase, putative 0.0105 0.0129 0.0271
Brugia malayi Trehalase family protein 0.0153 0.0221 0.0191
Mycobacterium ulcerans alpha-L-fucosidase 0.5268 0.997 1
Onchocerca volvulus 0.3663 0.691 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.0221 0.0191
Loa Loa (eye worm) alpha-L-fucosidase 0.3185 0.6001 0.5988
Trichomonas vaginalis glucosylceramidase, putative 0.0105 0.0129 0.0271
Trichomonas vaginalis sucrase-isomaltase, putative 0.0589 0.1052 0.3917
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0523 0.0927 0.8724
Trichomonas vaginalis glucosylceramidase, putative 0.0105 0.0129 0.0271
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0523 0.0927 0.3422
Loa Loa (eye worm) glycogen phosphorylase 0.0085 0.0092 0.0062
Brugia malayi carbohydrate phosphorylase 0.0085 0.0092 0.0062
Onchocerca volvulus 0.0153 0.0221 0.0234
Trichomonas vaginalis alpha-glucosidase, putative 0.0589 0.1052 0.3917

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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