TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 175.182 | Formula: C7H13NO4
H donors: 4 H acceptors: 4 LogP: -1.83 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: OCC1=NC(C)C([C@H]([C@@H]1O)O)O
InChi: 1S/C7H13NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3,5-7,9-12H,2H2,1H3/t3?,5?,6-,7-/m1/s1
InChiKey: NNPQTLQVHYCKMM-OZRXJSIASA-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
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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.2485	1
Echinococcus granulosus	importin subunit beta 1	0.0035	0.0114	0.0114
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0121	0.0283
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0137	0.1396	1
Leishmania major	hypothetical protein, conserved	0.0035	0.0121	0.9853
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0121	0.0283
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0074	0.0207
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0137	0.1396	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0123	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0121	0.0338
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0517	0.6142	0.6142
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.0921	0.2149
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0121	0.0121
Trichomonas vaginalis	esterase, putative	0.0035	0.0121	0.0869
Loa Loa (eye worm)	MH2 domain-containing protein	0.0143	0.1468	0.3425
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0123	0.0882
Schistosoma mansoni	alpha-glucosidase	0.0137	0.1391	0.1391
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0159	0.1667	0.3891
Schistosoma mansoni	hypothetical protein	0.0068	0.0529	0.0529
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.0921	0.2566
Brugia malayi	Alpha-L-fucosidase family protein	0.0313	0.3588	1
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0121	0.9853
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0114	0.9244
Toxoplasma gondii	HEAT repeat-containing protein	0.0035	0.0114	0.9244
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0121	0.0283
Loa Loa (eye worm)	alpha-L-fucosidase	0.0313	0.3588	0.8374
Leishmania major	importin beta-1 subunit, putative	0.0028	0.0032	0.2622
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0123	0.0343
Toxoplasma gondii	ABC1 family protein	0.0035	0.0121	0.9853
Mycobacterium ulcerans	alpha-L-fucosidase	0.0517	0.6142	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0159	0.1667	0.1667
Schistosoma mansoni	hypothetical protein	0.0031	0.0074	0.0074
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0025	0	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0529	0.1474
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.1667	0.1667
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.0123	0.0882
Brugia malayi	beta-lactamase family protein	0.0035	0.0121	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0529	0.1234
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.0517	0.6142	0.6142
Schistosoma mansoni	alpha-l-fucosidase	0.0313	0.3588	0.3588
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0074	0.0174
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0123	0.0882
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0159	0.1667	0.4647
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0123	0.0882
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0123	0.0882
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0123	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0121	0.0283
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0074	0.0074
Schistosoma mansoni	importin beta-1	0.0035	0.0114	0.0114
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0121	0.0869
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0123	1
Brugia malayi	Importin beta-1 subunit	0.0035	0.0114	0.0317
Entamoeba histolytica	hypothetical protein	0.0028	0.0032	0.2622
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0921	0.2149
Schistosoma mansoni	hypothetical protein	0.0031	0.0074	0.0074
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.1667	0.1667
Echinococcus multilocularis	microtubule associated protein 2	0.0826	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0121	0.5
Brugia malayi	beta-lactamase family protein	0.0035	0.0121	0.0338
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0032	0.0231
Echinococcus granulosus	snurportin 1	0.0368	0.4285	0.4285
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0121	0.0869
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0123	0.0882
Schistosoma mansoni	microtubule-associated protein tau	0.0826	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0121	0.9853
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0121	0.0283
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0121	0.0869
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0121	1
Trypanosoma brucei	glucosidase, putative	0.0035	0.0123	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0121	0.0283
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0121	0.0283
Brugia malayi	beta-lactamase	0.0035	0.0121	0.0338
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0074	0.0074
Schistosoma mansoni	alpha glucosidase	0.0035	0.0123	0.0123
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0121	0.9853
Echinococcus multilocularis	snurportin 1	0.0368	0.4285	0.4285
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0074	0.0074
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0074	0.0074
Onchocerca volvulus		0.0092	0.0831	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0032	0.0231
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0114	0.9244
Loa Loa (eye worm)	transcription factor SMAD2	0.0143	0.1468	0.3425
Schistosoma mansoni	hypothetical protein	0.0031	0.0074	0.0074
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0074	0.0207
Brugia malayi	RNA, U transporter 1	0.0098	0.0909	0.2532
Plasmodium falciparum	importin beta, putative	0.0035	0.0114	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0123	0.0882
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0123	0.0287
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0123	0.0123
Plasmodium vivax	importin-beta 2, putative	0.0035	0.0114	0.9381
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0123	1
Echinococcus granulosus	GPCR family 2	0.0031	0.0074	0.0074
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0123	1
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0121	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.0921	0.2566
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0114	0.0266
Schistosoma mansoni	alpha-glucosidase	0.0137	0.1391	0.1391
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0121	0.0283
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0123	1
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0123	0.0123
Schistosoma mansoni	hypothetical protein	0.0031	0.0074	0.0074
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.0123	0.0882
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0028	0.0032	0.2622
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0121	0.0121
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0121	0.0121
Trichomonas vaginalis	importin beta-1, putative	0.0028	0.0032	0.0231
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0121	0.0869
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0074	0.0074
Echinococcus multilocularis	importin subunit beta 1	0.0035	0.0114	0.0114
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0368	0.4285	1
Brugia malayi	MH2 domain containing protein	0.0143	0.1468	0.409
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0123	0.0882
Schistosoma mansoni	hypothetical protein	0.0368	0.4285	0.4285
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0074	0.0174
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0121	0.0869

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 7 nM	Inhibitory activity against alpha-L-fucosidase of bovine epididymis expressed as Ki	ChEMBL.	11549468
Ki (binding)	= 7 nM	Inhibitory activity against alpha-L-fucosidase of bovine epididymis expressed as Ki	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.

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Detailed information for compound 140382