TDR Targets

Basic information

Technical information

TDR Targets ID: 1135776
Name: [(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymet hyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] 2-(3,4-dihydroxyphenyl)acetate
MW: 450.436 | Formula: C22H26O10
H donors: 6 H acceptors: 7 LogP: 1.01 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)Cc1ccc(c(c1)O)O
InChi: 1S/C22H26O10/c23-11-17-19(28)20(29)21(32-18(27)10-13-3-6-15(25)16(26)9-13)22(31-17)30-8-7-12-1-4-14(24)5-2-12/h1-6,9,17,19-26,28-29H,7-8,10-11H2/t17-,19-,20+,21-,22-/m1/s1
InChiKey: KCKBTWNNYSDHSE-MIUGBVLSSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3-yl] 2-(3,4-dihydroxyphenyl)acetate
2-(3,4-dihydroxyphenyl)acetic acid [(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]-3-tetrahydropyranyl] ester
2-(3,4-dihydroxyphenyl)acetic acid [(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-(4-hydroxyphenyl)ethoxy]-6-methylol-tetrahydropyran-3-yl] ester
[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] 2-(3,4-dihydroxyphenyl)ethanoate

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
Trypanosoma cruzi	histone deacetylase, putative	0.0064	0.0256	0.1742
Loa Loa (eye worm)	hypothetical protein	0.1249	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0167	0.0095
Trichomonas vaginalis	histone deacetylase, putative	0.0108	0.0618	0.3683
Schistosoma mansoni	histone deacetylase 4 5	0.0092	0.048	0.041
Leishmania major	histone deacetylase, putative	0.0108	0.0618	0.6556
Trichomonas vaginalis	histone deacetylase, putative	0.0108	0.0618	0.3683
Plasmodium falciparum	histone deacetylase, putative	0.0092	0.048	0.4722
Echinococcus multilocularis	histone deacetylase 6	0.0097	0.0529	0.046
Brugia malayi	Carboxylesterase family protein	0.0211	0.1463	0.1446
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0618	0.0618
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0048	0.0125	0.0053
Leishmania major	histone deacetylase, putative	0.0092	0.048	0.4722
Schistosoma mansoni	gliotactin	0.0211	0.1463	0.14
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0211	0.1463	0.14
Plasmodium vivax	histone deacetylase 2, putative	0.0092	0.048	0.4722
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0108	0.0618	0.3683
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0048	0.0125	0.0053
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0211	0.1463	1
Trichomonas vaginalis	histone deacetylase, putative	0.0108	0.0618	0.3683
Toxoplasma gondii	histone deacetylase HDAC3	0.0108	0.0618	0.6556
Echinococcus granulosus	para nitrobenzyl esterase	0.0211	0.1463	0.14
Echinococcus granulosus	tumor protein p63	0.0395	0.2974	0.2923
Brugia malayi	Histone deacetylase family protein	0.0092	0.048	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0211	0.1463	0.1463
Treponema pallidum	NADH oxidase	0.0048	0.0125	0.5
Trypanosoma brucei	histone deacetylase 2	0.0064	0.0256	0.1742
Loa Loa (eye worm)	hypothetical protein	0.0211	0.1463	0.1463
Toxoplasma gondii	histone deacetylase HDAC1	0.0092	0.048	0.4722
Loa Loa (eye worm)	carboxylesterase	0.1249	1	1
Onchocerca volvulus		0.0211	0.1463	1
Echinococcus multilocularis	histone deacetylase 3	0.0108	0.0618	0.0549
Schistosoma mansoni	BC026374 protein (S09 family)	0.0211	0.1463	0.14
Leishmania major	histone deacetylase, putative	0.0092	0.048	0.4722
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0048	0.0125	0.5
Plasmodium vivax	glutathione reductase, putative	0.014	0.0877	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.1463	0.1463
Echinococcus granulosus	thioredoxin glutathione reductase	0.014	0.0877	0.081
Trypanosoma brucei	histone deacetylase 1	0.0108	0.0618	0.6556
Loa Loa (eye worm)	hypothetical protein	0.0211	0.1463	0.1463
Loa Loa (eye worm)	acetylcholinesterase 1	0.1249	1	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0202	0.0202
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0167	0.0095
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1249	1	1
Plasmodium vivax	thioredoxin reductase, putative	0.014	0.0877	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.014	0.0877	0.5617
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0167	0.0095
Echinococcus multilocularis	thioredoxin glutathione reductase	0.014	0.0877	0.081
Brugia malayi	hypothetical protein	0.0042	0.0073	0.0053
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0211	0.1463	0.14
Trichomonas vaginalis	spcc417.12 protein, putative	0.0211	0.1463	1
Trypanosoma brucei	histone deacetylase 3	0.0092	0.048	0.4722
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0211	0.1463	1
Plasmodium falciparum	glutathione reductase	0.014	0.0877	1
Loa Loa (eye worm)	histone deacetylase 11	0.0064	0.0256	0.0256
Brugia malayi	glutathione reductase	0.014	0.0877	0.0859
Brugia malayi	hypothetical protein	0.0211	0.1463	0.1446
Brugia malayi	histone deacetylase 3 (HD3)	0.0108	0.0618	0.0599
Plasmodium vivax	histone deacetylase, putative	0.0092	0.048	0.4722
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0048	0.0125	0.5
Loa Loa (eye worm)	hypothetical protein	0.0211	0.1463	0.1463
Echinococcus granulosus	carboxylesterase 5A	0.1249	1	1
Brugia malayi	histone deacetylase 11	0.0064	0.0256	0.0237
Brugia malayi	Thioredoxin reductase	0.014	0.0877	0.0859
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0048	0.0125	0.0053
Onchocerca volvulus		0.0211	0.1463	1
Brugia malayi	Carboxylesterase family protein	0.0211	0.1463	0.1446
Trichomonas vaginalis	histone deacetylase, putative	0.0108	0.0618	0.3683
Plasmodium falciparum	histone deacetylase 1	0.0108	0.0618	0.6556
Loa Loa (eye worm)	hypothetical protein	0.0211	0.1463	0.1463
Trypanosoma cruzi	histone deacetylase, putative	0.0092	0.048	0.4722
Schistosoma mansoni	cellular tumor antigen P53	0.0058	0.0202	0.013
Trypanosoma brucei	trypanothione reductase	0.014	0.0877	1
Giardia lamblia	Histone deacetylase	0.0108	0.0618	1
Trypanosoma cruzi	histone deacetylase, putative	0.0092	0.048	0.4722
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0211	0.1463	1
Loa Loa (eye worm)	histone deacetylase 1	0.0108	0.0618	0.0618
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0211	0.1463	0.14
Trypanosoma brucei	histone deacetylase, putative	0.0092	0.048	0.4722
Brugia malayi	Carboxylesterase family protein	0.0211	0.1463	0.1446
Plasmodium vivax	histone deacetylase 1, putative	0.0108	0.0618	0.6556
Echinococcus multilocularis	muscleblind protein	0.0174	0.1163	0.1098
Brugia malayi	histone deacetylase 1 (HD1)	0.0108	0.0618	0.0599
Loa Loa (eye worm)	carboxylesterase	0.0211	0.1463	0.1463
Schistosoma mansoni	histone deacetylase 4 5	0.0092	0.048	0.041
Echinococcus granulosus	histone deacetylase 6	0.0097	0.0529	0.046
Brugia malayi	Carboxylesterase family protein	0.0211	0.1463	0.1446
Toxoplasma gondii	histone deacetylase HDAC5	0.0064	0.0256	0.1742
Echinococcus multilocularis	histone deacetylase 8	0.0622	0.4841	0.4804
Echinococcus multilocularis	carboxylesterase 5A	0.1249	1	1
Loa Loa (eye worm)	histone deacetylase 7A	0.0092	0.048	0.048
Trypanosoma cruzi	histone deacetylase 1, putative	0.0108	0.0618	0.6556
Schistosoma mansoni	histone deacetylase	0.0108	0.0618	0.0549
Echinococcus multilocularis	acetylcholinesterase	0.1249	1	1
Echinococcus multilocularis	histone deacetylase 6	0.0092	0.048	0.041
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0211	0.1463	1
Echinococcus granulosus	histone deacetylase 6	0.0092	0.048	0.041
Echinococcus multilocularis	histone deacetylase 7	0.0092	0.048	0.041
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0167	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0174	0.1163	0.1163
Trichomonas vaginalis	histone deacetylase, putative	0.0108	0.0618	0.3683
Echinococcus multilocularis	histone deacetylase	0.0092	0.048	0.041
Loa Loa (eye worm)	hypothetical protein	0.1249	1	1
Echinococcus granulosus	histone deacetylase 8	0.0622	0.4841	0.4804
Echinococcus multilocularis	histone deacetylase 1	0.0108	0.0618	0.0549
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0211	0.1463	0.14
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0211	0.1463	0.14
Trichomonas vaginalis	histone deacetylase, putative	0.0108	0.0618	0.3683
Loa Loa (eye worm)	hypothetical protein	0.0174	0.1163	0.1163
Trypanosoma cruzi	histone deacetylase, putative	0.0064	0.0256	0.1742
Brugia malayi	Histone deacetylase family protein	0.0092	0.048	0.0461
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0048	0.0125	0.5
Onchocerca volvulus		0.0211	0.1463	1
Plasmodium vivax	histone deacetylase, putative	0.0064	0.0256	0.1742
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0211	0.1463	0.14
Onchocerca volvulus		0.0211	0.1463	1
Echinococcus granulosus	histone deacetylase 1	0.0108	0.0618	0.0549
Echinococcus granulosus	acetylcholinesterase	0.1249	1	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0256	0.0256
Echinococcus multilocularis	para nitrobenzyl esterase	0.0211	0.1463	0.14
Echinococcus granulosus	neuroligin	0.0211	0.1463	0.14
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0064	0.0256	0.0428
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0108	0.0618	0.3683
Brugia malayi	Carboxylesterase family protein	0.1249	1	1
Echinococcus multilocularis	muscleblind protein 1	0.0174	0.1163	0.1098
Echinococcus granulosus	histone deacetylase 3	0.0108	0.0618	0.0549
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0108	0.0618	0.3683
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0167	0.0095
Brugia malayi	Histone deacetylase 1	0.0108	0.0618	0.0599
Schistosoma mansoni	histone deacetylase hda2	0.0064	0.0256	0.0185
Trypanosoma cruzi	histone deacetylase 1, putative	0.0108	0.0618	0.6556
Loa Loa (eye worm)	hypothetical protein	0.0211	0.1463	0.1463
Echinococcus granulosus	histone deacetylase 7	0.0092	0.048	0.041
Echinococcus granulosus	muscleblind protein	0.0174	0.1163	0.1098
Plasmodium falciparum	thioredoxin reductase	0.014	0.0877	1
Schistosoma mansoni	acetylcholinesterase	0.0211	0.1463	0.14
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0167	0.0167
Toxoplasma gondii	histone deacetylase HDAC4	0.0064	0.0256	0.1742
Echinococcus granulosus	histone deacetylase 6	0.0092	0.048	0.041
Entamoeba histolytica	histone deacetylase, putative	0.0108	0.0618	1
Loa Loa (eye worm)	histone deacetylase	0.0092	0.048	0.048
Leishmania major	trypanothione reductase	0.014	0.0877	1
Leishmania major	histone deacetylase, putative	0.0108	0.0618	0.6556
Loa Loa (eye worm)	glutathione reductase	0.014	0.0877	0.0877
Mycobacterium ulcerans	carboxylesterase, LipT	0.0211	0.1463	1
Trypanosoma cruzi	histone deacetylase, putative	0.0092	0.048	0.4722
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0167	0.0095
Echinococcus granulosus	BC026374 protein S09 family	0.0211	0.1463	0.14
Schistosoma mansoni	histone deacetylase	0.0108	0.0618	0.0549
Loa Loa (eye worm)	thioredoxin reductase	0.014	0.0877	0.0877
Schistosoma mansoni	histone deacetylase hda2	0.0097	0.0529	0.046
Toxoplasma gondii	thioredoxin reductase	0.014	0.0877	1
Echinococcus multilocularis	tumor protein p63	0.0395	0.2974	0.2923
Echinococcus granulosus	acetylcholinesterase	0.1249	1	1
Plasmodium falciparum	histone deacetylase 2	0.0092	0.048	0.4722
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0048	0.0125	0.5
Echinococcus multilocularis	acetylcholinesterase	0.1249	1	1
Echinococcus multilocularis	histone deacetylase 6	0.0092	0.048	0.041
Echinococcus multilocularis	neuroligin	0.0211	0.1463	0.14
Trypanosoma brucei	histone deacetylase 4	0.0092	0.048	0.4722
Schistosoma mansoni	histone deacetylase 1 2 3	0.0622	0.4841	0.4804
Onchocerca volvulus		0.0211	0.1463	1
Loa Loa (eye worm)	histone deacetylase 3	0.0108	0.0618	0.0618
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0211	0.1463	0.14
Brugia malayi	Muscleblind-like protein	0.0174	0.1163	0.1145
Echinococcus granulosus	histone deacetylase	0.0092	0.048	0.041
Trypanosoma cruzi	trypanothione reductase, putative	0.014	0.0877	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0048	0.0125	0.0106
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0167	0.0095
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0167	0.0147
Toxoplasma gondii	histone deacetylase HDAC2	0.0108	0.0618	0.6556
Loa Loa (eye worm)	carboxylesterase	0.0211	0.1463	0.1463

Activities

No activities found for this compound.

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: CHEMBL1162980

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1135776