TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 146.141 | Formula: C6H10O4
H donors: 3 H acceptors: 3 LogP: -1.74 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1C[C@@H](O)[C@H]2[C@@H]([C@@H]1O)O2
InChi: 1S/C6H10O4/c7-2-1-3(8)5-6(10-5)4(2)9/h2-9H,1H2/t2-,3-,4-,5+,6-/m1/s1
InChiKey: CLIOOMJAWYWKCV-DGPNFKTASA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Echinococcus granulosus	sodium and chloride dependent glycine	0.0911	0.1088	0.1065
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0911	0.1088	0.1065
Loa Loa (eye worm)	hypothetical protein	0.0683	0.0631	0.0631
Echinococcus granulosus	enteropeptidase	0.0385	0.0035	0.0009
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.1083	0.1432	0.1432
Loa Loa (eye worm)	hypothetical protein	0.0911	0.1088	0.1088
Loa Loa (eye worm)	serotonin transporter b	0.5367	1	1
Echinococcus multilocularis	dihydrofolate reductase	0.0637	0.0539	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0911	0.1088	0.1088
Echinococcus granulosus	poly ADP ribose polymerase 1	0.2749	0.4763	0.475
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0609	0.0484	0.0484
Onchocerca volvulus		0.1562	0.2389	0.2369
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0661	0.0587	0.0587
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0911	0.1088	0.1088
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.5367	1	1
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.151	0.2286	0.5271
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0911	0.1088	0.2158
Echinococcus granulosus	thymidylate synthase	0.1562	0.2389	0.2369
Loa Loa (eye worm)	hypothetical protein	0.0683	0.0631	0.0631
Onchocerca volvulus		0.0911	0.1088	0.1065
Loa Loa (eye worm)	hypothetical protein	0.0911	0.1088	0.1088
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.2749	0.4763	1
Onchocerca volvulus		0.0911	0.1088	0.1065
Trichomonas vaginalis	glucosylceramidase, putative	0.0431	0.0128	0.066
Trichomonas vaginalis	glucosylceramidase, putative	0.0624	0.0513	0.6428
Echinococcus granulosus	WGR domain containing protein	0.0854	0.0973	0.095
Echinococcus multilocularis	thymidylate synthase	0.1562	0.2389	0.2369
Schistosoma mansoni	sodium/chloride dependent transporter	0.5367	1	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0911	0.1088	0.1065
Loa Loa (eye worm)	hypothetical protein	0.038	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.038	0.0026	0.0026
Mycobacterium ulcerans	thymidylate synthase	0.1562	0.2389	1
Loa Loa (eye worm)	hypothetical protein	0.0911	0.1088	0.1088
Echinococcus multilocularis	glycoprotein Antigen 5	0.0385	0.0035	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0911	0.1088	0.1088
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0683	0.0631	0.0607
Loa Loa (eye worm)	dihydrofolate reductase	0.0637	0.0539	0.0539
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.2856	0.4978	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0911	0.1088	0.1065
Echinococcus granulosus	sodium and chloride dependent glycine	0.0911	0.1088	0.1065
Loa Loa (eye worm)	hypothetical protein	0.038	0.0026	0.0026
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0427	0.0119	0.0094
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0911	0.1088	0.1065
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.2198	0.3663	0.7348
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0385	0.0035	0.0009
Echinococcus granulosus	poly adp ribose polymerase 2	0.151	0.2286	0.2266
Onchocerca volvulus		0.0683	0.0631	0.0607
Loa Loa (eye worm)	hypothetical protein	0.5367	1	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0911	0.1088	0.1088
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.038	0.0026	0.0026
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0624	0.0513	0.0513
Loa Loa (eye worm)	norepinephrine transporter	0.5367	1	1
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.2749	0.4763	0.475
Toxoplasma gondii	hypothetical protein	0.0911	0.1088	0.2158
Brugia malayi	Fibulin-1 precursor	0.038	0.0026	0.0026
Echinococcus multilocularis	serotonin transporter	0.5367	1	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0911	0.1088	0.1065
Brugia malayi	hypothetical protein	0.0911	0.1088	0.1088
Echinococcus granulosus	dihydrofolate reductase	0.0637	0.0539	0.0515
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0911	0.1088	0.1065
Onchocerca volvulus	Glucosylceramidase homolog	0.0409	0.0084	0.0058
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0911	0.1088	0.1088
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.2198	0.3663	0.5
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.2198	0.3663	1
Brugia malayi	hypothetical protein	0.0743	0.0752	0.0752
Echinococcus granulosus	Mastin	0.0385	0.0035	0.0009
Trichomonas vaginalis	glucosylceramidase, putative	0.0624	0.0513	0.6428
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0624	0.0513	0.0513
Brugia malayi	Trypsin family protein	0.0683	0.0631	0.0631
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0911	0.1088	0.1065
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.151	0.2286	0.5271
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0854	0.0973	0.095
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0911	0.1088	0.1065
Brugia malayi	WGR domain containing protein	0.2749	0.4763	0.4763
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0569	0.0404	0.479
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0911	0.1088	0.1065
Loa Loa (eye worm)	hypothetical protein	0.0911	0.1088	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0529	0.0323	0.0323
Loa Loa (eye worm)	solute carrier family 6 member 4	0.5367	1	1
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.2198	0.3663	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0609	0.0484	0.0459
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.2198	0.3663	1
Onchocerca volvulus		0.5367	1	1
Loa Loa (eye worm)	hypothetical protein	0.2092	0.345	0.345
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.1562	0.2389	0.2369
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0814	0.0893	0.0869
Treponema pallidum	sodium- and chloride- dependent transporter	0.5367	1	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0911	0.1088	0.1065
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.038	0.0026	0.0026
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0609	0.0484	0.0459
Schistosoma mansoni	sodium/chloride dependent transporter	0.0911	0.1088	0.1065
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.1562	0.2389	1
Echinococcus multilocularis	enteropeptidase	0.0385	0.0035	0.0009
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0911	0.1088	0.2158
Loa Loa (eye worm)	hypothetical protein	0.038	0.0026	0.0026
Brugia malayi	dihydrofolate reductase family protein	0.0637	0.0539	0.0539
Trichomonas vaginalis	glucosylceramidase, putative	0.0624	0.0513	0.6428
Loa Loa (eye worm)	hypothetical protein	0.0911	0.1088	0.1088
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0569	0.0404	0.479
Echinococcus granulosus	glycoprotein Antigen 5	0.0385	0.0035	0.0009
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.151	0.2286	0.2266
Trichomonas vaginalis	conserved hypothetical protein	0.0743	0.0752	1
Schistosoma mansoni	dihydrofolate reductase	0.0637	0.0539	0.0515
Trichomonas vaginalis	glucosylceramidase, putative	0.0624	0.0513	0.6428
Brugia malayi	Dihydrofolate reductase	0.0637	0.0539	0.0539
Toxoplasma gondii	calcium binding egf domain-containing protein	0.038	0.0026	0.0017
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0911	0.1088	0.1065
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0911	0.1088	0.1088
Loa Loa (eye worm)	hypothetical protein	0.151	0.2286	0.2286
Loa Loa (eye worm)	hypothetical protein	0.5367	1	1
Loa Loa (eye worm)	hypothetical protein	0.5367	1	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0911	0.1088	0.1065
Loa Loa (eye worm)	thymidylate synthase	0.1562	0.2389	0.2389
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.151	0.2286	0.2266
Trichomonas vaginalis	glucosylceramidase, putative	0.0624	0.0513	0.6428
Loa Loa (eye worm)	hypothetical protein	0.038	0.0026	0.0026
Trichomonas vaginalis	glucosylceramidase, putative	0.0431	0.0128	0.066
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0427	0.0119	0.0094
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.1306	0.1878	0.1857
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0911	0.1088	0.1065
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.1562	0.2389	1
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.0631	0.0527	0.0503
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0911	0.1088	0.1088
Schistosoma mansoni	voltage-gated potassium channel	0.0665	0.0596	0.0572
Schistosoma mansoni	sodium/chloride dependent transporter	0.0911	0.1088	0.1065
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0911	0.1088	0.2158
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.2749	0.4763	0.475
Toxoplasma gondii	hypothetical protein	0.0911	0.1088	0.2158
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0911	0.1088	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0683	0.0631	0.0607
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0911	0.1088	0.1088
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0911	0.1088	0.1065
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0427	0.0119	0.0094
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0911	0.1088	0.1065
Trichomonas vaginalis	glucosylceramidase, putative	0.0624	0.0513	0.6428
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0609	0.0484	0.0484
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0911	0.1088	0.1065
Mycobacterium tuberculosis	Hypothetical protein	0.0743	0.0752	0.1148
Echinococcus granulosus	tm gpcr rhodopsin	0.0814	0.0893	0.0869
Brugia malayi	WGR domain containing protein	0.151	0.2286	0.2286
Brugia malayi	thymidylate synthase	0.1562	0.2389	0.2389
Brugia malayi	Angiotensin-converting enzyme family protein	0.0661	0.0587	0.0587
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.038	0.0026	0.0026
Echinococcus multilocularis	Mastin	0.0385	0.0035	0.0009
Schistosoma mansoni	voltage-gated potassium channel	0.0665	0.0596	0.0572
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.2198	0.3663	1
Brugia malayi	Calcium binding EGF domain containing protein	0.038	0.0026	0.0026
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0911	0.1088	0.1065
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.038	0.0026	0.0026
Onchocerca volvulus		0.0525	0.0315	0.029
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0911	0.1088	0.1065
Onchocerca volvulus		0.0911	0.1088	0.1065
Toxoplasma gondii	calcium binding egf domain-containing protein	0.038	0.0026	0.0017
Echinococcus granulosus	serotonin transporter	0.5367	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	0 M	Inhibitory activity against Glucosylceramidase in mouse liver at a concentration of 10e-4 M; NA is inactive	ChEMBL.	10386923

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 51900