Detailed information for compound 522709

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 203.279 | Formula: C10H21NO3
  • H donors: 3 H acceptors: 3 LogP: -0.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN1C[C@H](O)[C@H]([C@@H]([C@H]1C)O)O
  • InChi: 1S/C10H21NO3/c1-3-4-5-11-6-8(12)10(14)9(13)7(11)2/h7-10,12-14H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
  • InChiKey: UKUWGTLFBZOCEY-UTINFBMNSA-N  

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
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0891 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0891 0.5
Brugia malayi Sugar transporter family protein 0.0114 0.3917 0.5599
Schistosoma mansoni hypothetical protein 0.0192 0.7156 1
Onchocerca volvulus 0.0171 0.6295 1
Mycobacterium ulcerans beta-lactamase 0.0041 0.0891 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.3917 0.483
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0114 0.3917 0.483
Schistosoma mansoni glucose transport protein 0.0114 0.3917 0.483
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0891 0.07
Brugia malayi hypothetical protein 0.0171 0.6295 1
Echinococcus multilocularis General substrate transporter 0.0098 0.3254 0.3771
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.3917 1
Mycobacterium ulcerans lipase LipD 0.0041 0.0891 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0891 0.07
Leishmania major hypothetical protein, conserved 0.0041 0.0891 1
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0891 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0891 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.6295 1
Mycobacterium ulcerans hypothetical protein 0.0041 0.0891 0.5
Mycobacterium leprae Probable lipase LipE 0.0041 0.0891 0.5
Plasmodium vivax hexose transporter 0.0114 0.3917 1
Schistosoma mansoni hypothetical protein 0.0192 0.7156 1
Schistosoma mansoni glucose transport protein 0.0114 0.3917 0.483
Echinococcus granulosus geminin 0.0192 0.7156 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.3917 0.483
Schistosoma mansoni hypothetical protein 0.0114 0.3917 0.483
Schistosoma mansoni glucose transport protein 0.0114 0.3917 0.483
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0663 0.7444
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0891 1
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0663 0.7444
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0114 0.3917 0.483
Trypanosoma cruzi hexose transporter 0.0035 0.0663 0.7444
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0891 0.07
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.3917 0.483
Plasmodium falciparum hexose transporter 0.0114 0.3917 0.5
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0663 0.7444
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0891 1
Loa Loa (eye worm) sugar transporter 0.0114 0.3917 0.5599
Toxoplasma gondii facilitative glucose transporter GT1 0.0114 0.3917 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0891 0.07
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0114 0.3917 0.483
Trichomonas vaginalis esterase, putative 0.0041 0.0891 0.07
Echinococcus multilocularis geminin 0.0192 0.7156 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0114 0.3917 0.483
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0891 0.07
Echinococcus granulosus General substrate transporter 0.0098 0.3254 0.3771
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.3917 0.483

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of beta-mannosidase (unknown origin) ChEMBL. 18060793
Activity (binding) 0 Inhibition of beta-mannosidase (unknown origin) ChEMBL. 18060793
IC50 (binding) 0 Inhibition of beta galactosidase (unknown origin) ChEMBL. 18060793
IC50 (binding) = 2 mM Inhibition of alpha mannosidase (unknown origin) ChEMBL. 18060793
IC50 (binding) = 3 mM Inhibition of alpha-L-fucosidase (unknown origin) ChEMBL. 18060793
IC50 (binding) = 77 uM Inhibition of alpha glucosidase (unknown origin) ChEMBL. 18060793
IC50 (binding) = 234 uM Inhibition of alpha galactosidase (unknown origin) ChEMBL. 18060793
IC50 (binding) = 540 uM Inhibition of beta glucosidase (unknown origin) ChEMBL. 18060793
Inhibition (functional) = 44 % Inhibition of IL4-secretion in BALB/c mouse splenocytes at 60 uM after 72 hrs by ELISA ChEMBL. 18060793
Inhibition (functional) = 55.5 % Inhibition of IFN-gamma secretion in BALB/c mouse splenocytes at 60 uM after 72 hrs by ELISA ChEMBL. 18060793

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

1 literature reference was collected for this gene.

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