Detailed information for compound 187431

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 263.291 | Formula: C10H21N3O5
  • H donors: 7 H acceptors: 5 LogP: -3.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCC(=O)NCC1(CO)NC(C)C(C(C1O)O)O
  • InChi: 1S/C10H21N3O5/c1-5-7(16)8(17)9(18)10(4-14,13-5)3-12-6(15)2-11/h5,7-9,13-14,16-18H,2-4,11H2,1H3,(H,12,15)
  • InChiKey: VXXSTHJKVGNUFG-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fucosidase, alpha-L- 1, tissue Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis fucosidase, alpha L 1, tissue Get druggable targets OG5_129683 All targets in OG5_129683
Mycobacterium ulcerans alpha-L-fucosidase Get druggable targets OG5_129683 All targets in OG5_129683
Brugia malayi Alpha-L-fucosidase family protein Get druggable targets OG5_129683 All targets in OG5_129683
Schistosoma mansoni alpha-l-fucosidase Get druggable targets OG5_129683 All targets in OG5_129683
Loa Loa (eye worm) alpha-L-fucosidase Get druggable targets OG5_129683 All targets in OG5_129683
Echinococcus granulosus fucosidase alpha L 1 tissue Get druggable targets OG5_129683 All targets in OG5_129683
Schistosoma japonicum ko:K01206 alpha-L-fucosidase [EC3.2.1.51], putative Get druggable targets OG5_129683 All targets in OG5_129683

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
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.1601 1 1
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1601 1 1
Loa Loa (eye worm) hypothetical protein 0.1574 0.9751 0.9604
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1574 0.9751 0.9706
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1601 1 1
Mycobacterium ulcerans hypothetical protein 0.0945 0.3948 1
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0945 0.3948 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1601 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1574 0.9751 0.9706
Giardia lamblia Hypothetical protein 0.0945 0.3948 0.5
Schistosoma mansoni 6-phosphofructokinase 0.1601 1 0.5
Giardia lamblia Hypothetical protein 0.0945 0.3948 0.5
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0945 0.3948 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1601 1 1
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.1574 0.9751 0.9706
Onchocerca volvulus 0.1601 1 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1574 0.9751 0.9706
Loa Loa (eye worm) hypothetical protein 0.1601 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 50 nM Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney ChEMBL. 9873733
IC50 (binding) = 50 nM Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney ChEMBL. 9873733
IC50 (binding) = 116 nM Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1 ChEMBL. 9873733
IC50 (binding) = 116 nM Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1 ChEMBL. 9873733
IC50 (binding) = 170 nM Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis ChEMBL. 9873733
IC50 (binding) = 170 nM Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis ChEMBL. 9873733

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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