Detailed information for compound 2071685

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 292.334 | Formula: C14H20N4O3
  • H donors: 2 H acceptors: 2 LogP: 0.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1n(C)nc(c1CNCCNC(=O)c1ccco1)C
  • InChi: 1S/C14H20N4O3/c1-10-11(14(20-3)18(2)17-10)9-15-6-7-16-13(19)12-5-4-8-21-12/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,19)
  • InChiKey: PCSSEXKMNMWXHN-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) hypothetical protein 0.0089 0.0071 0.0071
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0115 0.0366 0.0419
Trichomonas vaginalis beta-glucosidase, putative 0.0632 0.6401 1
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Brugia malayi Glycosyl hydrolases family 38 protein 0.0249 0.193 0.1802
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.021 0.1474 0.5
Brugia malayi Glycosyl hydrolases family 38 protein 0.014 0.066 0.0513
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0115 0.0366 0.1567
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Loa Loa (eye worm) TRE-1 protein 0.0121 0.0439 0.0439
Schistosoma mansoni mannosidase alpha class 2a 0.014 0.066 0.0668
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Echinococcus multilocularis neutral alpha glucosidase AB 0.021 0.1474 0.1339
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0118 0.0407 0.0256
Loa Loa (eye worm) TRE-2 protein 0.0121 0.0439 0.0439
Onchocerca volvulus 0.0121 0.0439 0.0091
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.021 0.1474 0.1257
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0177 0.1095 0.7119
Trypanosoma brucei glycosyl hydrolase-like protein 0.0115 0.0366 0.1567
Echinococcus granulosus endo beta n-acetylglucosaminidase 0.0097 0.016 0.0005
Trichomonas vaginalis maltase-glucoamylase, putative 0.021 0.1474 0.2178
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.021 0.1474 0.1474
Trichomonas vaginalis maltase-glucoamylase, putative 0.0115 0.0366 0.0419
Trichomonas vaginalis alpha-glucosidase, putative 0.021 0.1474 0.2178
Echinococcus granulosus lysosomal alpha glucosidase 0.0941 1 1
Schistosoma mansoni alpha glucosidase 0.021 0.1474 0.159
Trichomonas vaginalis trehalase, putative 0.0121 0.0439 0.0535
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0115 0.0366 0.0419
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0097 0.0155 0.0095
Plasmodium vivax hypothetical protein, conserved 0.0101 0.0212 0.5
Onchocerca volvulus 0.0803 0.8388 1
Schistosoma mansoni alpha-glucosidase 0.0846 0.8892 1
Loa Loa (eye worm) mannosidase 0.0097 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Loa Loa (eye worm) hypothetical protein 0.0097 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0097 0.0155 0.0155
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0177 0.1095 0.7119
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0151 0.0788 0.1089
Loa Loa (eye worm) hypothetical protein 0.0127 0.0506 0.0506
Brugia malayi Alpha-L-fucosidase family protein 0.021 0.1475 0.1341
Onchocerca volvulus 0.014 0.066 0.0367
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
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
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Echinococcus multilocularis thyroid hormone receptor alpha 0.0128 0.0518 0.0368
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.0188 0.0136
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0177 0.1095 0.7119
Echinococcus multilocularis lysosomal alpha mannosidase 0.0177 0.1095 0.0955
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
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.021 0.1474 0.1257
Brugia malayi Trehalase family protein 0.0121 0.0439 0.0288
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Onchocerca volvulus 0.014 0.066 0.0367
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0097 0.0155 0.0085
Echinococcus granulosus neutral alpha glucosidase AB 0.021 0.1474 0.1339
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
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0941 1 1
Loa Loa (eye worm) hypothetical protein 0.0332 0.2902 0.2902
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0115 0.0366 0.1567
Schistosoma mansoni alpha-l-fucosidase 0.021 0.1475 0.1592
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Trypanosoma brucei glucosidase, putative 0.021 0.1474 1
Trichomonas vaginalis beta-galactosidase, putative 0.0099 0.0188 0.0136
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.014 0.066 0.0668
Loa Loa (eye worm) hypothetical protein 0.014 0.066 0.066
Brugia malayi Glycosyl hydrolases family 31 protein 0.0115 0.0366 0.0214
Trichomonas vaginalis conserved hypothetical protein 0.0097 0.0155 0.0085
Echinococcus multilocularis endo beta n-acetylglucosaminidase 0.0097 0.016 0.0005
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
Brugia malayi Glycosyl hydrolase family 85 protein 0.0097 0.016 0.0005
Leishmania major alpha glucosidase II subunit, putative 0.021 0.1474 1
Mycobacterium tuberculosis Possible conserved exported protein 0.087 0.918 0.5
Echinococcus granulosus beta galactosidase 0.0332 0.2902 0.279
Brugia malayi Glycosyl hydrolases family 31 protein 0.021 0.1474 0.1339
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0177 0.1095 0.1161
Loa Loa (eye worm) hypothetical protein 0.0115 0.0366 0.0366
Loa Loa (eye worm) alpha-L-fucosidase 0.021 0.1475 0.1475
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0118 0.0407 0.0256
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.1474 1
Loa Loa (eye worm) hypothetical protein 0.014 0.066 0.066
Brugia malayi hypothetical protein 0.0121 0.0439 0.0288
Schistosoma mansoni alpha-glucosidase 0.0846 0.8892 1
Trichomonas vaginalis alpha-mannosidase, putative 0.0249 0.193 0.2902
Brugia malayi Glycosyl hydrolases family 38 protein 0.014 0.066 0.0513
Trichomonas vaginalis glycoside hydrolases, putative 0.0632 0.6401 1
Onchocerca volvulus 0.0121 0.0439 0.0091
Onchocerca volvulus 0.0121 0.0439 0.0091
Echinococcus multilocularis lysosomal alpha glucosidase 0.0941 1 1
Entamoeba histolytica alpha-1,2-mannosidase, putative 0.087 0.918 1
Loa Loa (eye worm) trehalase 0.0121 0.0439 0.0439
Echinococcus multilocularis alpha mannosidase 2 0.014 0.066 0.0513
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0249 0.193 0.2902
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0347 0.3075 0.2966
Onchocerca volvulus Trehalase homolog 0.0121 0.0439 0.0091
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.021 0.1474 0.2178
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0159 0.0887 0.1246
Schistosoma mansoni beta-galactosidase 0.0332 0.2902 0.3209
Loa Loa (eye worm) glycosyl hydrolase family 85 protein 0.0097 0.016 0.016
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419
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
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0135 0.0605 0.3389
Onchocerca volvulus 0.0121 0.0439 0.0091
Schistosoma mansoni thyroid hormone receptor 0.0128 0.0518 0.0507
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.1474 1
Onchocerca volvulus 0.0121 0.0439 0.0091
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
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.021 0.1474 0.2178
Trichomonas vaginalis glycoside hydrolase, putative 0.0099 0.0188 0.0136
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0249 0.193 0.193
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
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0101 0.0212 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 0.0439 0.0439
Schistosoma mansoni endo beta n-acetylglucosaminidase 0.0097 0.016 0.0101
Brugia malayi lysosomal alpha-mannosidase 0.014 0.066 0.0513
Mycobacterium ulcerans alpha-L-fucosidase 0.0347 0.3075 1
Schistosoma mansoni thyroid hormone receptor 0.0128 0.0518 0.0507
Echinococcus granulosus lysosomal alpha mannosidase 0.0177 0.1095 0.0955
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0347 0.3075 0.2966
Schistosoma mansoni hypothetical protein 0.0118 0.0407 0.0381
Leishmania major glycosyl hydrolase-like protein 0.0115 0.0366 0.1567
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0097 0.0155 0.0085
Loa Loa (eye worm) hypothetical protein 0.0332 0.2902 0.2902
Trichomonas vaginalis conserved hypothetical protein 0.0121 0.0439 0.0535
Trichomonas vaginalis sucrase-isomaltase, 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 alpha-glucosidase, putative 0.0115 0.0366 0.0419
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 beta galactosidase 0.0332 0.2902 0.279
Trichomonas vaginalis alpha-glucosidase, putative 0.0115 0.0366 0.0419

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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