TDR Targets

Basic information

Technical information

TDR Targets ID: 1216860
Name: (2R,3S)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop- 2-enoyl]oxy]pentanedioic acid
MW: 456.399 | Formula: C23H20O10
H donors: 4 H acceptors: 8 LogP: 2.66 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)/C=C/C(=O)O[C@H]([C@@H](OC(=O)/C=C/c1ccc(cc1)O)CC(=O)O)C(=O)O
InChi: 1S/C23H20O10/c24-16-7-1-14(2-8-16)5-11-20(28)32-18(13-19(26)27)22(23(30)31)33-21(29)12-6-15-3-9-17(25)10-4-15/h1-12,18,22,24-25H,13H2,(H,26,27)(H,30,31)/b11-5+,12-6+/t18-,22+/m0/s1
InChiKey: VJLMRHSHSNLOGC-NOPZTHQXSA-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,3S)-2,3-bis[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]pentanedioic acid
(2R,3S)-2,3-bis[[(E)-3-(4-hydroxyphenyl)acryloyl]oxy]glutaric acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Oryctolagus cuniculus	Glycogen phosphorylase, muscle form	Starlite/ChEMBL	References
Homo sapiens	phosphorylase, glycogen, liver	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	hypothetical protein	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	Glycosyl transferase family 35	Get druggable targets OG5_126999	All targets in OG5_126999
Entamoeba histolytica	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Chlamydia trachomatis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Cryptosporidium hominis	glycogen phosphorylase 1	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Entamoeba histolytica	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	ko:K00688 starch phosphorylase [EC2.4.1.1], putative	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Cryptosporidium parvum	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Trichomonas vaginalis	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Giardia lamblia	Glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	Glycosyl transferase, family 35	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma mansoni	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Onchocerca volvulus	Glycogen phosphorylase homolog	Get druggable targets OG5_126999	All targets in OG5_126999
Neospora caninum	hypothetical protein	Get druggable targets OG5_126999	All targets in OG5_126999
Brugia malayi	carbohydrate phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma mansoni	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Loa Loa (eye worm)	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Candida albicans	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Trichomonas vaginalis	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	ko:K00688 starch phosphorylase [EC2.4.1.1], putative	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	Glycogen phosphorylase, brain form, putative	Get druggable targets OG5_126999	All targets in OG5_126999

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Glycogen phosphorylase, muscle form	843 aa	840 aa	70.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1396	0.4245
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0109	0.3559
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0103	0.0916	0.2624
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0261	0.0765
Echinococcus granulosus	snurportin 1	0.0316	0.3272	0.3272
Plasmodium vivax	importin-beta 2, putative	0.003	0.0109	1
Chlamydia trachomatis	glycogen phosphorylase	0.0261	0.2665	0.5
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0023	0.0023
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0261	0.2665	1
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0261	0.2665	1
Schistosoma mansoni	bromodomain containing protein	0.0064	0.0486	0.1394
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0023	0.0034
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0316	0.3272	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0195	0.194	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0195	0.194	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0109	0.3559
Echinococcus multilocularis	protein dispatched 1	0.0049	0.0329	0.0329
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0261	0.0261
Schistosoma mansoni	patched 1	0.0043	0.0261	0.0749
Schistosoma mansoni	hypothetical protein	0.0042	0.0244	0.0699
Brugia malayi	Bromodomain containing protein	0.0075	0.0617	0.2247
Schistosoma mansoni	glycogen phosphorylase	0.0113	0.1029	0.2949
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0047	0.0128
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0113	0.1029	0.4717
Schistosoma mansoni	glycogen phosphorylase	0.0261	0.2665	0.7639
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0265	1
Schistosoma mansoni	hypothetical protein	0.0316	0.3272	0.9378
Echinococcus multilocularis	protein patched	0.0043	0.0261	0.0261
Trichomonas vaginalis	inositol monophosphatase, putative	0.0044	0.0265	0.0918
Loa Loa (eye worm)	hypothetical protein	0.003	0.0109	0.0298
Echinococcus granulosus	inositol monophosphatase 1	0.0044	0.0265	0.0265
Brugia malayi	PHD-finger family protein	0.0025	0.0059	0.0138
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0265	0.1265
Echinococcus granulosus	importin subunit beta 1	0.003	0.0109	0.0109
Echinococcus granulosus	glycogen phosphorylase	0.0261	0.2665	0.2665
Loa Loa (eye worm)	glycogen phosphorylase	0.0261	0.2665	0.8139
Echinococcus granulosus	Niemann Pick C1 protein	0.0144	0.1377	0.1377
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0119	0.0328
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0265	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0369	0.1096
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0109	0.045
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0113	0.1029	0.4558
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0044	0.0265	0.1265
Entamoeba histolytica	glycogen phosphorylase, putative	0.0113	0.1029	0.3807
Brugia malayi	Inositol-1	0.0044	0.0265	0.0918
Schistosoma mansoni	hypothetical protein	0.0042	0.0244	0.0699
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0261	0.2665	0.2665
Echinococcus multilocularis	geminin	0.0335	0.3489	0.3489
Brugia malayi	Cytochrome P450 family protein	0.003	0.0119	0.0364
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0898	0.2719
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.0446	0.0446
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0195	0.194	0.194
Echinococcus granulosus	Glycosyl transferase family 35	0.0261	0.2665	0.2665
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0047	0.1009
Schistosoma mansoni	hypothetical protein	0.0335	0.3489	1
Brugia malayi	RNA, U transporter 1	0.0084	0.0712	0.2607
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0831	0.8976	0.8976
Schistosoma mansoni	hypothetical protein	0.0335	0.3489	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0209	0.0605
Echinococcus multilocularis	snurportin 1	0.0316	0.3272	0.3272
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0182	0.0182
Echinococcus granulosus	expressed conserved protein	0.0095	0.0831	0.0831
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0047	0.0093
Entamoeba histolytica	glycogen phosphorylase, putative	0.0261	0.2665	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0101	0.0898	0.0898
Schistosoma mansoni	hypothetical protein	0.0042	0.0244	0.0699
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0109	0.0109
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0195	0.194	0.194
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0044	0.0265	0.0918
Echinococcus multilocularis	inositol monophosphatase 1	0.0044	0.0265	0.0265
Brugia malayi	Niemann-Pick C1 protein precursor	0.0101	0.0898	0.3313
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0261	0.0902
Schistosoma mansoni	glycogen phosphorylase	0.0261	0.2665	0.7639
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0195	0.194	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0023	0.0023
Plasmodium falciparum	importin beta, putative	0.003	0.0109	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1396	0.4245
Echinococcus multilocularis	expressed conserved protein	0.0095	0.0831	0.0831
Echinococcus multilocularis	glycogen phosphorylase	0.0261	0.2665	0.2665
Loa Loa (eye worm)	inositol-1	0.0044	0.0265	0.0778
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0033	0.0033
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0195	0.194	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0033	0.0095
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0047	0.0093
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0039	0.0215	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0195	0.194	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0235	0.0686
Brugia malayi	Bromodomain containing protein	0.0039	0.0208	0.0702
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0265	0.076
Echinococcus multilocularis	Niemann Pick C1 protein	0.0144	0.1377	0.1377
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.0446	0.0446
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0182	0.0182
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0044	0.0265	0.5
Schistosoma mansoni	ran	0.0022	0.0023	0.0065
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0261	0.0261
Brugia malayi	hypothetical protein	0.0146	0.1396	0.5195
Schistosoma mansoni	aldehyde dehydrogenase	0.0195	0.194	0.5561
Echinococcus granulosus	Niemann Pick C1 protein	0.0101	0.0898	0.0898
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0569	0.171
Schistosoma mansoni	ran	0.0022	0.0023	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0257	0.0751
Entamoeba histolytica	glycogenphosphorylase, putative	0.0113	0.1029	0.3807
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0047	0.0093
Entamoeba histolytica	glycogen phosphorylase, putative	0.0261	0.2665	1
Brugia malayi	CHE-14 protein	0.0043	0.0261	0.0902
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0261	0.0261
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0265	0.0918
Schistosoma mansoni	importin beta-1	0.003	0.0109	0.0313
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0101	0.0898	0.3313
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0195	0.194	1
Echinococcus multilocularis	glycogen phosphorylase	0.0261	0.2665	0.2665
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0033	0.0033
Giardia lamblia	Glycogen phosphorylase	0.0261	0.2665	1
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0261	0.2665	1
Echinococcus granulosus	neuropeptide receptor A26	0.0924	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0261	0.0765
Echinococcus multilocularis	neuropeptide s receptor	0.0924	1	1
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0265	0.076
Echinococcus granulosus	geminin	0.0335	0.3489	0.3489
Echinococcus multilocularis	neuropeptide receptor A26	0.0924	1	1
Brugia malayi	Importin beta-1 subunit	0.003	0.0109	0.0327
Echinococcus granulosus	glycogen phosphorylase	0.0261	0.2665	0.2665
Schistosoma mansoni	aldehyde dehydrogenase	0.0195	0.194	0.5561
Schistosoma mansoni	hypothetical protein	0.0021	0.0012	0.0034
Schistosoma mansoni	hypothetical protein	0.0042	0.0244	0.0699
Entamoeba histolytica	glycogen phosphorylase, putative	0.0113	0.1029	0.3807
Brugia malayi	carbohydrate phosphorylase	0.0261	0.2665	1
Entamoeba histolytica	hypothetical protein	0.0024	0.0047	0.0093

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.5 uM	Inhibition of human liver glycogen phosphorylase	ChEMBL.	23395662
Ki (binding)	= 0.46 uM	Inhibition of rabbit muscle glycogen phosphorylase	ChEMBL.	23395662

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: CHEMBL1234956

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 1216860