Detailed information for compound 2071671

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 275.775 | Formula: C12H22ClN3O2
  • H donors: 1 H acceptors: 1 LogP: 0.11 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC2(C1)CNCC2)N1CCOCC1.Cl
  • InChi: 1S/C12H21N3O2.ClH/c16-11(14-5-7-17-8-6-14)15-4-2-12(10-15)1-3-13-9-12;/h13H,1-10H2;1H
  • InChiKey: PUWUTVARSGBGGM-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
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Schistosoma mansoni mannosyl-oligosaccharidealpha-12-mannosidase-r el ated 0.007 0.0407 0.0072
Echinococcus multilocularis transfer RNA-Trp 0.0511 0.4727 1
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0169 0.1373 0.6284
Loa Loa (eye worm) hypothetical protein 0.007 0.0407 0.0033
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0511 0.4727 0.4571
Trichomonas vaginalis glucosylceramidase, putative 0.0725 0.6827 0.6733
Schistosoma mansoni er degradation-enhancing alpha-mannosidase-like 0.007 0.0407 0.0072
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.007 0.0407 0.0123
Schistosoma mansoni mannosidase alpha class 2a 0.0269 0.2358 0.4555
Echinococcus granulosus alpha mannosidase 2 0.0134 0.1026 0.2053
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0194 0.1619 0.2857
Brugia malayi ER degradation-enhancing alpha-mannosidase-like, putative 0.007 0.0407 0.0276
Echinococcus multilocularis ER degradation enhancer, mannosidase alpha 0.007 0.0407 0.0723
Loa Loa (eye worm) hypothetical protein 0.007 0.0407 0.0033
Toxoplasma gondii melibiase subfamily protein 0.0101 0.0705 1
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.007 0.0403 0.0119
Schistosoma mansoni sphingosine kinase A B 0.0073 0.0432 0.0129
Trypanosoma brucei endo-beta-N-acetylglucosaminidase, putative 0.0087 0.0571 0.1067
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0407 0.0123
Brugia malayi Alpha-mannosidase C1orf22 0.007 0.0407 0.0276
Trichomonas vaginalis glucosylceramidase, putative 0.0725 0.6827 0.6733
Echinococcus multilocularis lysosomal alpha mannosidase 0.0227 0.1945 0.4025
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0407 0.0123
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0511 0.4727 0.4571
Loa Loa (eye worm) hypothetical protein 0.0124 0.0932 0.0578
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.007 0.0407 0.0123
Echinococcus granulosus mitochondrial ribosomal protein L17 0.0043 0.0135 0.0138
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0067 0.0376 0.0091
Loa Loa (eye worm) hypothetical protein 0.0157 0.1258 0.0917
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.007 0.0407 0.0723
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0407 0.0123
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0407 0.0123
Trichomonas vaginalis Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform, putative 0.007 0.0407 0.0123
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0194 0.1619 0.1371
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.007 0.0407 0.0123
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.007 0.0407 0.0723
Echinococcus multilocularis endo beta n-acetylglucosaminidase 0.0087 0.0571 0.1075
Echinococcus granulosus lysosomal alpha mannosidase 0.0227 0.1945 0.4025
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.007 0.0407 0.0723
Loa Loa (eye worm) hypothetical protein 0.007 0.0403 0.0028
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Brugia malayi Glycosyl hydrolases family 38 protein 0.0269 0.2358 0.2253
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Trichomonas vaginalis alpha-mannosidase, putative 0.0194 0.1619 0.1371
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0511 0.4727 0.4571
Mycobacterium tuberculosis Conserved protein 0.0073 0.0432 0.5
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.007 0.0407 0.0123
Loa Loa (eye worm) hypothetical protein 0.044 0.4036 0.3803
Trichomonas vaginalis conserved hypothetical protein 0.0511 0.4727 0.4571
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0511 0.4727 1
Echinococcus granulosus er degradation enhancer mannosidase alpha 0.007 0.0407 0.0723
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0101 0.0705 0.1363
Trypanosoma cruzi endo-beta-N-acetylglucosaminidase, putative 0.0087 0.0571 0.1067
Loa Loa (eye worm) hypothetical protein 0.0269 0.2358 0.2059
Onchocerca volvulus Glucosylceramidase homolog 0.0688 0.6464 1
Brugia malayi Glycosyl hydrolase family 85 protein 0.0087 0.0571 0.0442
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0511 0.4727 0.4571
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.0511 0.4727 1
Mycobacterium ulcerans alpha-mannosidase 0.0194 0.1619 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0432 0.0058
Schistosoma mansoni mannosyl-oligosaccharidealpha-12-mannosidase-r el ated 0.007 0.0407 0.0072
Brugia malayi lysosomal alpha-mannosidase 0.0194 0.1619 0.1504
Loa Loa (eye worm) hypothetical protein 0.0194 0.1619 0.1292
Trichomonas vaginalis Mannosyl-oligosaccharide 1,2-alpha-mannosidase IA, putative 0.007 0.0407 0.0123
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.007 0.0407 0.0123
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0407 0.0123
Loa Loa (eye worm) hypothetical protein 0.007 0.0407 0.0033
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0511 0.4727 1
Leishmania major glycosyl hydrolase-like protein 0.0087 0.0571 1
Echinococcus multilocularis mitochondrial ribosomal protein L17 0.0043 0.0135 0.0138
Entamoeba histolytica hypothetical protein, conserved 0.0073 0.0432 0.5
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0511 0.4727 0.4571
Loa Loa (eye worm) mannosidase 0.0511 0.4727 0.4521
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0511 0.4727 0.4571
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0227 0.1945 1
Echinococcus multilocularis er degradation enhancing alpha mannosidase 0.007 0.0407 0.0723
Loa Loa (eye worm) hypothetical protein 0.007 0.0407 0.0033
Loa Loa (eye worm) hypothetical protein 0.0511 0.4727 0.4521
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.007 0.0407 0.0723
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0227 0.1945 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1048 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0511 0.4727 0.4571
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0511 0.4727 0.4571
Brugia malayi Melibiase family protein 0.0067 0.0376 0.0244
Brugia malayi Alpha-mannosidase C1orf22 0.007 0.0407 0.0276
Schistosoma mansoni endo beta n-acetylglucosaminidase 0.0087 0.0571 0.0449
Trypanosoma cruzi endo-beta-N-acetylglucosaminidase, putative 0.0087 0.0571 0.1067
Loa Loa (eye worm) glycosyl hydrolase family 85 protein 0.0087 0.0571 0.0203
Echinococcus granulosus alpha mannosidase 2 0.0145 0.1141 0.23
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0194 0.1619 0.1292
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0511 0.4727 0.4571
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0511 0.4727 1
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Brugia malayi Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1 0.0511 0.4727 0.4655
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0227 0.1945 0.3606
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.007 0.0407 0.0123
Echinococcus granulosus sphingosine kinase 1 0.0073 0.0432 0.0776
Trichomonas vaginalis glycoside hydrolases, putative 0.0132 0.101 0.0744
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0101 0.0705 0.1363
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0511 0.4727 0.4571
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.0705 0.0757
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0511 0.4727 0.4571
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.007 0.0407 0.0723
Schistosoma mansoni sphingoid long chain base kinase 0.0073 0.0432 0.0129
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0403 0.0119
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.0705 0.0757
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0407 0.0123
Brugia malayi Alpha-mannosidase C1orf22 0.007 0.0407 0.0276
Brugia malayi Glycosyl hydrolases family 38 protein 0.0194 0.1619 0.1504
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0511 0.4727 0.4571
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0124 0.0932 0.1279
Brugia malayi Alpha-mannosidase C1orf22 0.007 0.0407 0.0276
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Trichomonas vaginalis beta-glucosidase, putative 0.0132 0.101 0.0744
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Echinococcus multilocularis alpha mannosidase 2 0.0269 0.2358 0.4912
Echinococcus granulosus endo beta n-acetylglucosaminidase 0.0087 0.0571 0.1075
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.0511 0.4727 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0511 0.4727 0.4571
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0227 0.1945 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0403 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0407 0.0123
Brugia malayi Glycosyl hydrolase family 47 protein 0.007 0.0407 0.0276
Echinococcus multilocularis sphingosine kinase 1 0.0073 0.0432 0.0776
Loa Loa (eye worm) hypothetical protein 0.0511 0.4727 0.4521
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0101 0.0705 0.1363
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.0705 0.0757
Loa Loa (eye worm) hypothetical protein 0.007 0.0407 0.0033
Brugia malayi Glycosyl hydrolases family 38 protein 0.0194 0.1619 0.1504
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.0705 0.0757
Loa Loa (eye worm) hypothetical protein 0.0145 0.1141 0.0796

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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