Detailed information for compound 2071684

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.354 | Formula: C13H14N6O2S
  • H donors: 1 H acceptors: 4 LogP: 0.88 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nnsc1C(=O)NCCn1nc2n(c1=O)cccc2
  • InChi: 1S/C13H14N6O2S/c1-2-9-11(22-17-15-9)12(20)14-6-8-19-13(21)18-7-4-3-5-10(18)16-19/h3-5,7H,2,6,8H2,1H3,(H,14,20)
  • InChiKey: IEUIEUBRJQBGEK-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
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.021 0.1474 0.1257
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.021 0.1474 0.2178
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0115 0.0366 0.0419
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.021 0.1474 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Echinococcus multilocularis alpha mannosidase 2 0.0194 0.1287 0.115
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0229 0.1701 0.2539
Brugia malayi Glycosyl hydrolases family 38 protein 0.0365 0.3282 0.3176
Loa Loa (eye worm) hypothetical protein 0.0332 0.2902 0.2902
Onchocerca volvulus 0.0121 0.0439 0.0091
Leishmania major alpha glucosidase II subunit, putative 0.021 0.1474 1
Entamoeba histolytica alpha-1,2-mannosidase, putative 0.087 0.918 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0115 0.0366 0.1317
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Echinococcus granulosus neutral alpha glucosidase AB 0.021 0.1474 0.1339
Loa Loa (eye worm) trehalase 0.0121 0.0439 0.0439
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0941 1 1
Schistosoma mansoni thyroid hormone receptor 0.0128 0.0518 0.0415
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.1474 0.8407
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Echinococcus granulosus lysosomal alpha glucosidase 0.0941 1 1
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0194 0.1287 0.1296
Echinococcus multilocularis lysosomal alpha glucosidase 0.0941 1 1
Schistosoma mansoni alpha-glucosidase 0.0846 0.8892 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0115 0.0366 0.0419
Trichomonas vaginalis maltase-glucoamylase, putative 0.0115 0.0366 0.0419
Mycobacterium ulcerans alpha-mannosidase 0.0365 0.3282 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Echinococcus multilocularis thyroid hormone receptor alpha 0.0128 0.0518 0.0368
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Loa Loa (eye worm) mannosidase 0.0097 0.0155 0.0155
Leishmania major glycosyl hydrolase-like protein 0.0115 0.0366 0.1567
Schistosoma mansoni alpha-glucosidase 0.0846 0.8892 1
Loa Loa (eye worm) alpha-L-fucosidase 0.021 0.1475 0.1475
Brugia malayi lysosomal alpha-mannosidase 0.0194 0.1287 0.115
Brugia malayi Glycosyl hydrolases family 31 protein 0.021 0.1474 0.1339
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.021 0.1474 0.1257
Echinococcus multilocularis lysosomal alpha glucosidase 0.0941 1 1
Schistosoma mansoni thyroid hormone receptor 0.0128 0.0518 0.0415
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0124 0.0472 0.0363
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Trichomonas vaginalis beta-galactosidase, putative 0.0099 0.0188 0.0136
Onchocerca volvulus 0.0121 0.0439 0.0091
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.0188 0.0136
Echinococcus granulosus lysosomal alpha mannosidase 0.0231 0.1722 0.1592
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Loa Loa (eye worm) TRE-1 protein 0.0121 0.0439 0.0439
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0231 0.1722 1
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Echinococcus granulosus endo beta n-acetylglucosaminidase 0.0097 0.016 0.0005
Loa Loa (eye worm) hypothetical protein 0.0097 0.0155 0.0155
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0118 0.0407 0.0256
Echinococcus multilocularis lysosomal alpha mannosidase 0.0231 0.1722 0.1592
Loa Loa (eye worm) trehalase 0.0121 0.0439 0.0439
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0101 0.0212 0.5
Trichomonas vaginalis glycoside hydrolases, putative 0.0632 0.6401 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.021 0.1474 0.1339
Loa Loa (eye worm) hypothetical protein 0.0194 0.1287 0.1287
Trypanosoma brucei glycosyl hydrolase-like protein 0.0115 0.0366 0.1317
Loa Loa (eye worm) hypothetical protein 0.0332 0.2902 0.2902
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0231 0.1722 1
Onchocerca volvulus 0.0803 0.8388 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0155 0.0155
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Trichomonas vaginalis sucrase-isomaltase, putative 0.021 0.1474 0.2178
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0173 0.1044 0.5658
Echinococcus granulosus beta galactosidase 0.0332 0.2902 0.279
Brugia malayi Glycosyl hydrolase family 85 protein 0.0097 0.016 0.0005
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Brugia malayi Glycosyl hydrolases family 31 protein 0.0115 0.0366 0.0214
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Trichomonas vaginalis beta-glucosidase, putative 0.0632 0.6401 1
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0365 0.3282 0.5048
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.021 0.1474 0.1474
Trichomonas vaginalis conserved hypothetical protein 0.0097 0.0155 0.0085
Mycobacterium tuberculosis Possible conserved exported protein 0.087 0.918 0.5
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Brugia malayi Glycosyl hydrolases family 38 protein 0.0194 0.1287 0.115
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0347 0.3075 0.2966
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Schistosoma mansoni alpha glucosidase 0.021 0.1474 0.1509
Onchocerca volvulus 0.0194 0.1287 0.1149
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0231 0.1722 0.1794
Brugia malayi Glycosyl hydrolases family 38 protein 0.0194 0.1287 0.115
Trichomonas vaginalis glycoside hydrolase, putative 0.0099 0.0188 0.0136
Onchocerca volvulus 0.0194 0.1287 0.1149
Loa Loa (eye worm) hypothetical protein 0.0161 0.0907 0.0907
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0241 0.1838 0.2756
Onchocerca volvulus 0.0121 0.0439 0.0091
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Brugia malayi Alpha-L-fucosidase family protein 0.021 0.1475 0.1341
Schistosoma mansoni mannosidase alpha class 2a 0.0194 0.1287 0.1296
Trichomonas vaginalis alpha-mannosidase, putative 0.0365 0.3282 0.5048
Trypanosoma brucei glucosidase, putative 0.021 0.1474 0.8407
Trichomonas vaginalis maltase-glucoamylase, putative 0.021 0.1474 0.2178
Brugia malayi hypothetical protein 0.0121 0.0439 0.0288
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Schistosoma mansoni alpha-l-fucosidase 0.021 0.1475 0.1511
Schistosoma mansoni beta-galactosidase 0.0332 0.2902 0.3143
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Loa Loa (eye worm) trehalase 0.0121 0.0439 0.0439
Onchocerca volvulus 0.0121 0.0439 0.0091
Loa Loa (eye worm) hypothetical protein 0.0124 0.0472 0.0472
Echinococcus multilocularis beta galactosidase 0.0332 0.2902 0.279
Loa Loa (eye worm) TRE-2 protein 0.0121 0.0439 0.0439
Echinococcus multilocularis endo beta n-acetylglucosaminidase 0.0097 0.016 0.0005
Schistosoma mansoni hypothetical protein 0.0118 0.0407 0.0288
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0231 0.1722 1
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0347 0.3075 0.2966
Onchocerca volvulus Trehalase homolog 0.0121 0.0439 0.0091
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0115 0.0366 0.1317
Schistosoma mansoni endo beta n-acetylglucosaminidase 0.0097 0.016 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0121 0.0439 0.0535
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Loa Loa (eye worm) hypothetical protein 0.0115 0.0366 0.0366
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Plasmodium vivax hypothetical protein, conserved 0.0101 0.0212 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0118 0.0407 0.0256
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0365 0.3282 0.3282
Trichomonas vaginalis trehalase, putative 0.0121 0.0439 0.0535
Loa Loa (eye worm) hypothetical protein 0.0194 0.1287 0.1287
Onchocerca volvulus 0.0121 0.0439 0.0091
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.021 0.1474 0.2178
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Loa Loa (eye worm) glycosyl hydrolase family 85 protein 0.0097 0.016 0.016
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.1474 0.8407
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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