TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 237.295 | Formula: C13H19NO3
H donors: 4 H acceptors: 3 LogP: 0.07 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC1C(O)[C@H](C(C1NCc1ccccc1)O)O
InChi: 1S/C13H19NO3/c1-8-10(12(16)13(17)11(8)15)14-7-9-5-3-2-4-6-9/h2-6,8,10-17H,7H2,1H3/t8?,10?,11?,12?,13-/m1/s1
InChiKey: YZCOUWUUEXAXAH-CUBOASBISA-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
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
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
Mycobacterium ulcerans	alpha-L-fucosidase	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
Brugia malayi	Alpha-L-fucosidase family protein	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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	DNA helicase recq, putative	0.002	0.0197	0.0531
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0168	0.3106	0.3029
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0037	0.0529	0.1895
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0177	1
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0197	0.2801
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0529	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.1639	0.1546
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0529	0.1895
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0168	0.3106	0.3029
Schistosoma mansoni	alpha glucosidase	0.0037	0.0529	0.0888
Schistosoma mansoni	hypothetical protein	0.0016	0.011	0.0185
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.1639	0.1546
Giardia lamblia	Sgs1 DNA helicase, putative	0.002	0.0197	1
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0197	0.2801
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0529	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0791	0.1226
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.002	0.0197	0.0219
Schistosoma mansoni	DNA helicase recq5	0.002	0.0197	0.0331
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.002	0.0197	0.0088
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0197	0.0219
Schistosoma mansoni	hypothetical protein	0.0016	0.011	0.0185
Schistosoma mansoni	ap endonuclease	0.0019	0.0177	0.0297
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0529	0.1895
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0197	0.2801
Loa Loa (eye worm)	RecQ helicase	0.002	0.0197	0.0219
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.1639	0.1546
Schistosoma mansoni	ap endonuclease	0.0019	0.0177	0.0297
Schistosoma mansoni	hypothetical protein	0.0035	0.0476	0.0798
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0197	0.373
Schistosoma mansoni	hypothetical protein	0.0016	0.011	0.0185
Echinococcus multilocularis	bloom syndrome protein	0.002	0.0197	0.0088
Toxoplasma gondii	exonuclease III APE	0.0019	0.0177	0.3342
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0168	0.3106	0.5151
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0177	0.2354
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.011	0.0071
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.011	0.0071
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0529	0.1895
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0529	0.0424
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0177	0.0068
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.002	0.0197	1
Trichomonas vaginalis	DNA helicase recq1, putative	0.002	0.0197	0.0531
Brugia malayi	Bloom's syndrome protein homolog	0.002	0.0197	0.0219
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0.0529	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0529	0.1895
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0168	0.3106	0.5151
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.002	0.0197	0.0088
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.002	0.0197	0.0088
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.002	0.0197	0.0088
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0177	0.3342
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0529	0.1895
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0517	1	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0177	0.0184
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0177	0.0184
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0529	0.0424
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0177	0.2354
Mycobacterium ulcerans	alpha-L-fucosidase	0.0517	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.011	0.0071
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0791	0.1226
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0137	0.2502	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0197	0.373
Trypanosoma brucei	glucosidase, putative	0.0037	0.0529	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0177	0.5
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0177	0.2354
Brugia malayi	Alpha-L-fucosidase family protein	0.0313	0.5965	1
Schistosoma mansoni	alpha-glucosidase	0.0144	0.2645	0.4434
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0197	0.0219
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0529	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.0529	0.0782
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0529	1
Schistosoma mansoni	hypothetical protein	0.0016	0.011	0.0185
Onchocerca volvulus		0.0097	0.171	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0529	0.1895
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.1639	0.2747
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0014	0.0068	0.1291
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0037	0.0529	0.1895
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.1639	0.2747
Schistosoma mansoni	DNA helicase recq1	0.002	0.0197	0.0331
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0177	0.2354
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0476	0.0691
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0529	0.0782
Schistosoma mansoni	alpha-glucosidase	0.0144	0.2645	0.4434
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0177	0.0446
Trichomonas vaginalis	DNA helicase recq, putative	0.002	0.0197	0.0531
Schistosoma mansoni	alpha-l-fucosidase	0.0313	0.5965	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0168	0.3106	0.3029
Entamoeba histolytica	recQ family helicase, putative	0.002	0.0197	0.373
Loa Loa (eye worm)	hypothetical protein	0.005	0.0791	0.1226
Loa Loa (eye worm)	hypothetical protein	0.002	0.0197	0.0219
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0177	0.0068
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.1639	0.1546
Loa Loa (eye worm)	alpha-L-fucosidase	0.0313	0.5965	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.1639	0.2747
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0791	0.1226
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0529	0.1895
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.0529	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0476	0.0691
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.011	0.0071
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0177	0.5
Echinococcus granulosus	bloom syndrome protein	0.002	0.0197	0.0088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.1639	0.2663
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0137	0.2502	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0177	0.5
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	0.0197	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.1639	0.2663
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0177	0.0446

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.68 uM	In vitro inhibition of alpha-L-fucosidase isolated from bovine kidney.	ChEMBL.	11549468
Ki (binding)	= 0.68 uM	In vitro inhibition of alpha-L-fucosidase isolated from bovine kidney.	ChEMBL.	11549468

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

No external resources registered for this compound

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 139006