TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 382.427 | Formula: C15H26O9S
H donors: 6 H acceptors: 6 LogP: -1.71 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: C=CCOC1OC(CO)C(C([C@H]1OC1SC(C)C([C@H](C1O)O)O)O)O
InChi: 1S/C15H26O9S/c1-3-4-22-14-13(11(20)9(18)7(5-16)23-14)24-15-12(21)10(19)8(17)6(2)25-15/h3,6-21H,1,4-5H2,2H3/t6?,7?,8?,9?,10-,11?,12?,13-,14?,15?/m1/s1
InChiKey: CYBBORYBZUEFNP-JQYFDRAYSA-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
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
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
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

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
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0041	0.007
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0037	0.0386	0.0386
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0037	0.0386	0.0654
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0549	0.093
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0517	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0549	0.093
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0037	0.0386	0.0654
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0549	0.0549
Brugia malayi	Nuclear hormone receptor-like 1	0.0037	0.0386	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0041	0.007
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.1989	0.3366
Echinococcus multilocularis	geminin	0.0166	0.2968	0.2968
Loa Loa (eye worm)	alpha-L-fucosidase	0.0313	0.591	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0037	0.0386	0.0386
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0148	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0037	0.0386	0.0386
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0037	0.0386	0.0386
Entamoeba histolytica	hypothetical protein	0.0035	0.0358	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0037	0.0386	0.0694
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0037	0.0386	0.0654
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.1989	0.3366
Loa Loa (eye worm)	hypothetical protein	0.0049	0.063	0.1065
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0037	0.0386	0.0654
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0037	0.0386	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0386	0.0654
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0019	0.0041	0.007
Brugia malayi	nuclear receptor NHR-88	0.0037	0.0386	0.0654
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0019	0.0041	0.0041
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0549	0.093
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0037	0.0386	0.0654
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0037	0.0386	0.0386
Schistosoma mansoni	thyroid hormone receptor	0.014	0.2451	0.4148
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0037	0.0386	0.0386
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0037	0.0386	0.0386
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0019	0.0041	0.007
Loa Loa (eye worm)	hypothetical protein	0.0295	0.5564	0.9414
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0037	0.0386	0.0654
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0549	0.0549
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0019	0.0041	0.007
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0321	0.0544
Schistosoma mansoni	hypothetical protein	0.0035	0.0358	0.0607
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0037	0.0386	0.0654
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0037	0.0386	0.0654
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0037	0.0386	0.0654
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0037	0.0386	0.0654
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0549	0.093
Brugia malayi	MH2 domain containing protein	0.0117	0.1989	0.3366
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0037	0.0386	0.0654
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0037	0.0386	0.0386
Echinococcus multilocularis	thyroid hormone receptor alpha	0.014	0.2451	0.2451
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0386	0.0654
Schistosoma mansoni	alpha-l-fucosidase	0.0313	0.591	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0148	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0037	0.0386	0.0654
Brugia malayi	Steroid receptor seven-up type 2	0.0037	0.0386	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0386	0.0654
Loa Loa (eye worm)	steroid hormone receptor	0.0037	0.0386	0.0654
Schistosoma mansoni	thyroid hormone receptor	0.014	0.2451	0.4148
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0037	0.0386	0.0654
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0037	0.0386	0.0654
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0148	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0037	0.0386	0.0654
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0549	0.093
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0037	0.0386	0.0654
Onchocerca volvulus	Protein ultraspiracle homolog	0.0037	0.0386	0.0694
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0358	0.0607
Schistosoma mansoni	retinoic acid receptor RXR	0.0037	0.0386	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0386	0.0654
Brugia malayi	photoreceptor-specific nuclear receptor	0.0037	0.0386	0.0654
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0549	0.0549
Leishmania major	hypothetical protein, conserved	0.0025	0.0148	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0037	0.0386	0.0386
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0103	0.172	0.172
Brugia malayi	hypothetical protein	0.0295	0.5564	0.9414
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0037	0.0386	0.0654
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0549	0.0549
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0358	0.0358
Schistosoma mansoni	hypothetical protein	0.0166	0.2968	0.5022
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0386	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0386	0.0654
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0037	0.0386	0.0386
Entamoeba histolytica	hypothetical protein	0.0035	0.0358	0.5
Echinococcus granulosus	geminin	0.0166	0.2968	0.2968
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0041	0.007
Schistosoma mansoni	hypothetical protein	0.0166	0.2968	0.5022
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0148	0.5
Brugia malayi	nuclear hormone receptor	0.0037	0.0386	0.0654
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0037	0.0386	0.0654
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0037	0.0386	0.0654
Brugia malayi	steroid hormone receptor	0.0037	0.0386	0.0654
Entamoeba histolytica	hypothetical protein	0.0035	0.0358	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0037	0.0386	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0041	0.007
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0037	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0148	0.025
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.063	0.1065
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0137	0.2399	0.5
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0019	0.0041	0.0041
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0037	0.0386	0.0386
Brugia malayi	hypothetical protein	0.0035	0.0358	0.0607
Brugia malayi	Nuclear hormone receptor-like 1	0.0019	0.0041	0.007
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0037	0.0386	0.0654
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0148	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0386	0.0654
Schistosoma mansoni	hypothetical protein	0.0033	0.0321	0.0544
Brugia malayi	hypothetical protein	0.0019	0.0041	0.007
Brugia malayi	nuclear receptor RXR	0.0019	0.0041	0.007
Schistosoma mansoni	hypothetical protein	0.0103	0.172	0.291
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0037	0.0386	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0041	0.007
Mycobacterium ulcerans	alpha-L-fucosidase	0.0517	1	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0037	0.0386	0.0654
Schistosoma mansoni	coup transcription factor	0.0037	0.0386	0.0654
Brugia malayi	Alpha-L-fucosidase family protein	0.0313	0.591	1
Echinococcus multilocularis	FTZ F1 alpha	0.0037	0.0386	0.0386
Onchocerca volvulus		0.0295	0.5564	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0148	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0037	0.0386	0.0386
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0037	0.0386	0.0386
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0037	0.0386	0.0654
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0037	0.0386	0.0654
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0037	0.0386	0.0654
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0037	0.0386	0.0386
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0103	0.172	0.172
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0037	0.0386	0.0654
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0137	0.2399	0.5
Brugia malayi	ecdysteroid receptor	0.0037	0.0386	0.0654
Schistosoma mansoni	nuclear hormone receptor	0.0037	0.0386	0.0654
Onchocerca volvulus		0.0037	0.0386	0.0694
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0358	0.0358
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0037	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0321	0.0544
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.063	0.1065
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.063	0.1065
Entamoeba histolytica	hypothetical protein	0.0035	0.0358	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0386	0.0654
Brugia malayi	hypothetical protein	0.0025	0.0148	0.025
Brugia malayi	Nuclear hormone receptor-like 1	0.0019	0.0041	0.007
Onchocerca volvulus	Bile acid receptor homolog	0.0037	0.0386	0.0694
Brugia malayi	hypothetical protein	0.0019	0.0041	0.007

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.21 uM	Inhibitory activity against alpha-L-fucosidase of bacillus species (K40T) expressed as Ki	ChEMBL.	11549468
Ki (binding)	= 0.21 uM	Inhibitory activity against alpha-L-fucosidase of bacillus species (K40T) expressed as Ki	ChEMBL.	11549468
Ki (binding)	= 30 uM	In vitro inhibition of alpha-L-fucosidase isolated from bovine kidney.	ChEMBL.	11549468
Ki (binding)	= 30 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

ChEMBL: CHEMBL85817

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 138773