TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.485 | Formula: C22H32O8
H donors: 2 H acceptors: 4 LogP: 1.22 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)O[C@@H]1[C@@H](C)[C@](C)(CC[C@H]2CCOC2=O)[C@@H]2[C@]3([C@H]1O)[C@@H](O)O[C@H](C2)C[C@]13OC1
InChi: 1S/C22H32O8/c1-11-16(29-12(2)23)17(24)22-15(8-14(30-19(22)26)9-21(22)10-28-21)20(11,3)6-4-13-5-7-27-18(13)25/h11,13-17,19,24,26H,4-10H2,1-3H3/t11-,13+,14-,15-,16-,17+,19+,20+,21+,22+/m1/s1
InChiKey: OEJINYZEVCGYAK-NUTXIKHPSA-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	receptor type tyrosine protein phosphatase zeta	0.0208	0.0283	0.0203
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0198	0.0261	0.0261
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0938	0.1946	0.1814
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0435	0.0799	0.0553
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0208	0.0283	0.0203
Onchocerca volvulus		0.0198	0.0261	0.0237
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1604	0.346	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0494	0.0935	1
Onchocerca volvulus		0.0198	0.0261	0.0237
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Schistosoma mansoni	protein tyrosine phosphatase	0.0198	0.0261	0.0261
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.1109	0.2335	0.5
Leishmania major	hypothetical protein, conserved	0.0494	0.0935	1
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0198	0.0261	0.0261
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0198	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Onchocerca volvulus		0.0198	0.0261	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0198	0.0261	0.018
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Onchocerca volvulus		0.0198	0.0261	0.0237
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.4476	1	1
Trypanosoma brucei	endonuclease G, putative	0.0261	0.0404	0.213
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0198	0.0261	0.018
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1604	0.346	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.4476	1	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0198	0.0261	0.018
Echinococcus multilocularis		0.0198	0.0261	0.018
Schistosoma mansoni	lipoxygenase	0.012	0.0082	0.0082
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.1604	0.346	0.3285
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0198	0.0261	0.018
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0198	0.0261	0.018
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.1604	0.346	0.5
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0198	0.0261	0.0261
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0208	0.0283	0.0203
Onchocerca volvulus		0.1604	0.346	1
Onchocerca volvulus		0.0435	0.0799	0.1881
Loa Loa (eye worm)	hypothetical protein	0.0435	0.0799	0.0649
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0198	0.0261	0.018
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.0261	0.0404	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Echinococcus multilocularis	neuropeptide s receptor	0.0469	0.0876	0.0801
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0208	0.0283	0.0203
Schistosoma mansoni	pcd6 interacting protein-related	0.0198	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0366	0.0644	0.0491
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.4476	1	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0494	0.0935	0.2108
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0208	0.0283	0.0283
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0198	0.0261	0.018
Schistosoma mansoni	protein tyrosine phosphatase	0.0208	0.0283	0.0283
Echinococcus granulosus	neuropeptide s receptor	0.0469	0.0876	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Onchocerca volvulus		0.0198	0.0261	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0435	0.0799	0.0649
Trypanosoma cruzi	endonuclease G, putative	0.0261	0.0404	0.213
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0198	0.0261	0.018
Onchocerca volvulus		0.0198	0.0261	0.0237
Schistosoma mansoni	protein tyrosine phosphatase	0.0198	0.0261	0.0261
Echinococcus multilocularis	Endonuclease G	0.0261	0.0404	0.0325
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0208	0.0283	0.0283
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Onchocerca volvulus		0.0198	0.0261	0.0237
Onchocerca volvulus		0.0198	0.0261	0.0237
Onchocerca volvulus		0.0198	0.0261	0.0237
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1604	0.346	1
Onchocerca volvulus		0.0198	0.0261	0.0237
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0198	0.0261	0.018
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0198	0.0261	0.018
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0198	0.0261	0.018
Trypanosoma brucei	endonuclease G, putative	0.0261	0.0404	0.213
Onchocerca volvulus		0.0198	0.0261	0.0237
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0366	0.0644	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0352	0.0611	0.0458
Brugia malayi	endonuclease G, mitochondrial precursor	0.0261	0.0404	0.0147
Echinococcus granulosus	Endonuclease G	0.0261	0.0404	0.0325
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0198	0.0261	0.018
Onchocerca volvulus		0.0938	0.1946	0.5379
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Leishmania major	endonuclease G, putative	0.0261	0.0404	0.213
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0822	0.168	0.1612
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0198	0.0261	0.0261
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.4476	1	1
Echinococcus multilocularis	ectonucleotide	0.0366	0.0644	0.0566
Schistosoma mansoni	hypothetical protein	0.0938	0.1946	0.1946
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0938	0.1946	0.173
Loa Loa (eye worm)	hypothetical protein	0.0435	0.0799	0.0649
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0198	0.0261	0.018
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Schistosoma mansoni	endonuclease related	0.0261	0.0404	0.0404
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Trypanosoma cruzi	endonuclease G, putative	0.0261	0.0404	0.213
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0198	0.0261	0.018
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0208	0.0283	0.0203
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0198	0.0261	0.0261
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0208	0.0283	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Onchocerca volvulus		0.0198	0.0261	0.0237
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1604	0.346	1
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.1604	0.346	0.3354
Onchocerca volvulus		0.0198	0.0261	0.0237
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0198	0.0261	0.0102
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0435	0.0799	0.0799
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0198	0.0261	0.018
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0198	0.0261	0.0261
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0198	0.0261	0.018
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus multilocularis	neuropeptide receptor A26	0.0469	0.0876	0.0801
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0208	0.0283	0.0283
Schistosoma mansoni	hypothetical protein	0.0172	0.0201	0.0201
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0261	0.0404	0.213
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0435	0.0799	0.0799
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0435	0.0799	0.0799
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0198	0.0261	0.0102
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0198	0.0261	0.018
Echinococcus granulosus	ectonucleotide	0.0366	0.0644	0.0566
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0261	0.0404	0.213
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0435	0.0799	0.0799
Onchocerca volvulus		0.0198	0.0261	0.0237
Onchocerca volvulus		0.0198	0.0261	0.0237
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1604	0.346	1
Echinococcus multilocularis	geminin	0.0172	0.0201	0.012
Trypanosoma cruzi	hypothetical protein, conserved	0.0494	0.0935	1
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0198	0.0261	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0198	0.0261	0.018
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0208	0.0283	0.0203
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0198	0.0261	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Onchocerca volvulus		0.0198	0.0261	0.0237
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.0261	0.0404	0.213
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0208	0.0283	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus multilocularis	hypothetical protein	0.0198	0.0261	0.018
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0198	0.0261	0.018
Schistosoma mansoni	hypothetical protein	0.0172	0.0201	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0198	0.0261	0.018
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0198	0.0261	0.018
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Trypanosoma brucei	endonuclease G, putative	0.0261	0.0404	0.213
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0366	0.0644	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus granulosus	geminin	0.0172	0.0201	0.012
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus granulosus	neuropeptide receptor A26	0.0469	0.0876	0.0801
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0198	0.0261	0.018
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0198	0.0261	0.018
Onchocerca volvulus		0.0198	0.0261	0.0237
Onchocerca volvulus		0.0198	0.0261	0.0237
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.1604	0.346	1
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0494	0.0935	1
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0208	0.0283	0.0283
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.1604	0.346	1
Onchocerca volvulus		0.0198	0.0261	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0198	0.0261	0.0102
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0208	0.0283	0.0125
Brugia malayi	Protein-tyrosine phosphatase	0.0362	0.0634	0.0383
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0208	0.0283	0.0203
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0198	0.0261	0.018
Onchocerca volvulus		0.0198	0.0261	0.0237
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.1604	0.346	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Onchocerca volvulus	4.1 G protein, putative homolog	0.0198	0.0261	0.0237
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0198	0.0261	0.018
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Onchocerca volvulus		0.0198	0.0261	0.0237
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0198	0.0261	0.018
Onchocerca volvulus		0.0198	0.0261	0.0237
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1604	0.346	1
Onchocerca volvulus		0.0198	0.0261	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0198	0.0261	0.018
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0198	0.0261	0.018
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0435	0.0799	0.0723
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0198	0.0261	0.018
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0198	0.0261	0.0102
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0208	0.0283	0.0203
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0198	0.0261	0.0261
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0494	0.0935	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0261	0.0102
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0208	0.0283	0.0203
Onchocerca volvulus		0.0435	0.0799	0.1881

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: CHEMBL491484

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 992165