TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 159.183 | Formula: C7H13NO3
H donors: 4 H acceptors: 3 LogP: -1.91 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1CNC2([C@H]([C@H]1O)O)CC2
InChi: 1S/C7H13NO3/c9-4-3-8-7(1-2-7)6(11)5(4)10/h4-6,8-11H,1-3H2/t4-,5+,6+/m1/s1
InChiKey: VCFIPARMELTEKE-SRQIZXRXSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bos taurus	Alpha-L-fucosidase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	alpha-L-fucosidase	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
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	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 japonicum	ko:K01206 alpha-L-fucosidase [EC3.2.1.51], putative	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
Mycobacterium ulcerans	alpha-L-fucosidase	Get druggable targets OG5_129683	All targets in OG5_129683

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Alpha-L-fucosidase 1	468 aa	432 aa	43.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0213	0.0202
Trichomonas vaginalis	glucosylceramidase, putative	0.0194	0.3803	0.6097
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0445	0.0435
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0296	0.6101	0.6101
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0445	0.0435
Trichomonas vaginalis	glucosylceramidase, putative	0.0194	0.3803	0.6097
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0039	0.0306	0.1752
Loa Loa (eye worm)	alpha-L-fucosidase	0.0469	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0296	0.6101	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0213	0.5
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0026	0.0013	0.0003
Brugia malayi	hypothetical protein	0.0038	0.0275	0.0264
Brugia malayi	hypothetical protein	0.0059	0.0745	0.0735
Trichomonas vaginalis	glucosylceramidase, putative	0.0296	0.6101	1
Echinococcus granulosus	geminin	0.0169	0.3223	0.3216
Trichomonas vaginalis	glucosylceramidase, putative	0.0194	0.3803	0.6097
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0206	0.406	0.6535
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.2998	0.299
Trypanosoma cruzi	PAB1-binding protein , putative	0.0059	0.0745	1
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0194	0.3794	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0011	0.0011
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0445	0.0435
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.4039	0.6498
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.0469	1	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0159	0.2998	0.299
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0745	0.0745
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0275	0.5618	0.5618
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0469	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0296	0.6101	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0059	0.0745	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.2998	0.299
Schistosoma mansoni	alpha glucosidase	0.0035	0.0213	0.0202
Schistosoma mansoni	hypothetical protein	0.0169	0.3223	0.3216
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0206	0.406	0.6535
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.4039	0.6498
Mycobacterium ulcerans	alpha-L-fucosidase	0.0469	1	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0194	0.3803	1
Brugia malayi	follicle stimulating hormone receptor	0.0275	0.5618	0.5613
Schistosoma mansoni	hypothetical protein	0.0026	0.0013	0.0003
Trypanosoma cruzi	PAB1-binding protein , putative	0.0059	0.0745	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0059	0.0745	1
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0039	0.0306	0.0295
Loa Loa (eye worm)	hepatopoietin HPO2	0.0039	0.0306	0.0306
Plasmodium falciparum	ataxin-2 like protein, putative	0.0059	0.0745	1
Leishmania major	hypothetical protein, conserved	0.0059	0.0745	1
Onchocerca volvulus		0.0092	0.1489	0.3897
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0011	0.0011
Leishmania major	hypothetical protein, conserved	0.0039	0.0306	0.1752
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0445	0.0435
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0011	0.0011
Echinococcus granulosus	lysosomal alpha glucosidase	0.0159	0.2998	0.299
Schistosoma mansoni	alpha-l-fucosidase	0.0469	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0296	0.6101	1
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0039	0.0306	0.1752
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0213	0.0202
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0213	0.0213
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0445	0.0435
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0445	0.0435
Schistosoma mansoni	hypothetical protein	0.0169	0.3223	0.3216
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0213	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0445	0.0435
Trichomonas vaginalis	glucosylceramidase, putative	0.0194	0.3803	0.6097
Echinococcus multilocularis	geminin	0.0169	0.3223	0.3216
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0039	0.0306	0.1752
Trichomonas vaginalis	glucosylceramidase, putative	0.0296	0.6101	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0026	0.0013	0.0003
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0445	0.0445
Trichomonas vaginalis	glucosylceramidase, putative	0.0194	0.3803	0.6097
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0445	0.0435
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0213	0.0202
Trichomonas vaginalis	glucosylceramidase, putative	0.0194	0.3803	0.6097
Trypanosoma brucei	PAB1-binding protein , putative	0.0059	0.0745	1
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0039	0.0306	0.1752
Brugia malayi	Augmenter of liver regeneration	0.0039	0.0306	0.0295
Toxoplasma gondii	Erv1 / Alr family protein	0.0039	0.0306	0.1752
Schistosoma mansoni	alpha-glucosidase	0.0137	0.2499	0.2491
Toxoplasma gondii	Erv1 / Alr family protein	0.0039	0.0306	0.1752
Trichomonas vaginalis	glucosylceramidase, putative	0.0296	0.6101	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0059	0.0745	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0194	0.3803	0.6097
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0296	0.6101	0.6097
Schistosoma mansoni	alpha-glucosidase	0.0137	0.2499	0.2491
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0039	0.0306	0.0295
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0159	0.2998	0.2998

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)		Inhibition of Aspergillus oryzae beta-galactosidase at 1 mM	ChEMBL.	19875298
Inhibition (binding)		Inhibition of Escherichia coli beta-galactosidase at 1 mM	ChEMBL.	19875298
Inhibition (binding)	= 83 %	Inhibition of bovine kidney alpha-L-fucosidase at 1 mM by para-nitrophenolate release assay	ChEMBL.	19875298
Ki (binding)	= 18 uM	Inhibition of bovine kidney alpha-L-fucosidase by para-nitrophenolate release assay	ChEMBL.	19875298

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

ChEMBL: CHEMBL608684

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1107033