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
Schistosoma mansoni alpha-l-fucosidase 0.021 0.1475 0.1511
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0231 0.1722 1
Loa Loa (eye worm) TRE-1 protein 0.0121 0.0439 0.0439
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Trichomonas vaginalis maltase-glucoamylase, putative 0.0115 0.0366 0.0419
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0115 0.0366 0.0419
Echinococcus multilocularis lysosomal alpha glucosidase 0.0941 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Brugia malayi Alpha-L-fucosidase family protein 0.021 0.1475 0.1341
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Trichomonas vaginalis sucrase-isomaltase, putative 0.021 0.1474 0.2178
Echinococcus multilocularis endo beta n-acetylglucosaminidase 0.0097 0.016 0.0005
Echinococcus multilocularis lysosomal alpha mannosidase 0.0231 0.1722 0.1592
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0115 0.0366 0.1317
Loa Loa (eye worm) hypothetical protein 0.0332 0.2902 0.2902
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0115 0.0366 0.0419
Trichomonas vaginalis glycoside hydrolases, putative 0.0632 0.6401 1
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0241 0.1838 0.2756
Loa Loa (eye worm) trehalase 0.0121 0.0439 0.0439
Brugia malayi Glycosyl hydrolases family 38 protein 0.0194 0.1287 0.115
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.021 0.1474 0.5
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0124 0.0472 0.0363
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.021 0.1474 0.2178
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Brugia malayi Glycosyl hydrolases family 38 protein 0.0194 0.1287 0.115
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0118 0.0407 0.0256
Schistosoma mansoni endo beta n-acetylglucosaminidase 0.0097 0.016 0.0005
Loa Loa (eye worm) hypothetical protein 0.0194 0.1287 0.1287
Trichomonas vaginalis conserved hypothetical protein 0.0097 0.0155 0.0085
Schistosoma mansoni alpha glucosidase 0.021 0.1474 0.1509
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0229 0.1701 0.2539
Onchocerca volvulus 0.0121 0.0439 0.0091
Loa Loa (eye worm) alpha-L-fucosidase 0.021 0.1475 0.1475
Echinococcus multilocularis neutral alpha glucosidase AB 0.021 0.1474 0.1339
Loa Loa (eye worm) glycosyl hydrolase family 85 protein 0.0097 0.016 0.016
Trichomonas vaginalis glycoside hydrolase, putative 0.0099 0.0188 0.0136
Plasmodium vivax hypothetical protein, conserved 0.0101 0.0212 0.5
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0194 0.1287 0.1296
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.021 0.1474 0.1257
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0231 0.1722 1
Trichomonas vaginalis beta-galactosidase, putative 0.0099 0.0188 0.0136
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0365 0.3282 0.5048
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0231 0.1722 0.1794
Schistosoma mansoni hypothetical protein 0.0118 0.0407 0.0288
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0941 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.021 0.1474 0.1474
Schistosoma mansoni thyroid hormone receptor 0.0128 0.0518 0.0415
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Leishmania major alpha glucosidase II subunit, putative 0.021 0.1474 1
Onchocerca volvulus 0.0194 0.1287 0.1149
Loa Loa (eye worm) trehalase 0.0121 0.0439 0.0439
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.1474 0.8407
Brugia malayi Glycosyl hydrolase family 85 protein 0.0097 0.016 0.0005
Schistosoma mansoni alpha-glucosidase 0.0846 0.8892 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Onchocerca volvulus 0.0803 0.8388 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.0907 0.0907
Onchocerca volvulus 0.0121 0.0439 0.0091
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Loa Loa (eye worm) hypothetical protein 0.0097 0.0155 0.0155
Onchocerca volvulus 0.0121 0.0439 0.0091
Brugia malayi hypothetical protein 0.0121 0.0439 0.0288
Schistosoma mansoni alpha-glucosidase 0.0846 0.8892 1
Echinococcus multilocularis beta galactosidase 0.0332 0.2902 0.279
Trichomonas vaginalis beta-glucosidase, putative 0.0632 0.6401 1
Schistosoma mansoni mannosidase alpha class 2a 0.0194 0.1287 0.1296
Echinococcus granulosus neutral alpha glucosidase AB 0.021 0.1474 0.1339
Onchocerca volvulus 0.0194 0.1287 0.1149
Loa Loa (eye worm) hypothetical protein 0.0124 0.0472 0.0472
Brugia malayi Glycosyl hydrolases family 31 protein 0.021 0.1474 0.1339
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Trichomonas vaginalis trehalase, putative 0.0121 0.0439 0.0535
Echinococcus granulosus beta galactosidase 0.0332 0.2902 0.279
Mycobacterium ulcerans alpha-mannosidase 0.0365 0.3282 1
Onchocerca volvulus 0.0121 0.0439 0.0091
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Echinococcus multilocularis alpha mannosidase 2 0.0194 0.1287 0.115
Mycobacterium tuberculosis Possible conserved exported protein 0.087 0.918 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0941 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0231 0.1722 1
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.0188 0.0136
Trypanosoma brucei glycosyl hydrolase-like protein 0.0115 0.0366 0.1317
Loa Loa (eye worm) hypothetical protein 0.0194 0.1287 0.1287
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0115 0.0366 0.1317
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Loa Loa (eye worm) hypothetical protein 0.0115 0.0366 0.0366
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0347 0.3075 0.2966
Entamoeba histolytica alpha-1,2-mannosidase, putative 0.087 0.918 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, 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 0.0097 0.0155 0.0155
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.1474 0.8407
Brugia malayi Glycosyl hydrolases family 38 protein 0.0365 0.3282 0.3176
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0118 0.0407 0.0256
Brugia malayi lysosomal alpha-mannosidase 0.0194 0.1287 0.115
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0365 0.3282 0.3282
Echinococcus multilocularis thyroid hormone receptor alpha 0.0128 0.0518 0.0368
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Echinococcus multilocularis lysosomal alpha glucosidase 0.0941 1 1
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0347 0.3075 0.2966
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Leishmania major glycosyl hydrolase-like protein 0.0115 0.0366 0.1567
Trichomonas vaginalis alpha-mannosidase, putative 0.0365 0.3282 0.5048
Trichomonas vaginalis conserved hypothetical protein 0.0121 0.0439 0.0535
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.021 0.1474 0.1257
Onchocerca volvulus Trehalase homolog 0.0121 0.0439 0.0091
Trichomonas vaginalis maltase-glucoamylase, putative 0.021 0.1474 0.2178
Schistosoma mansoni thyroid hormone receptor 0.0128 0.0518 0.0415
Onchocerca volvulus 0.0121 0.0439 0.0091
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0173 0.1044 0.5658
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Echinococcus granulosus endo beta n-acetylglucosaminidase 0.0097 0.016 0.0005
Schistosoma mansoni beta-galactosidase 0.0332 0.2902 0.3143
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Echinococcus granulosus lysosomal alpha mannosidase 0.0231 0.1722 0.1592
Loa Loa (eye worm) mannosidase 0.0097 0.0155 0.0155
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Loa Loa (eye worm) TRE-2 protein 0.0121 0.0439 0.0439
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0101 0.0212 0.5
Loa Loa (eye worm) hypothetical protein 0.0332 0.2902 0.2902
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
Trypanosoma brucei glucosidase, putative 0.021 0.1474 0.8407
Loa Loa (eye worm) trehalase 0.0121 0.0439 0.0439

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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