TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 446.446 | Formula: C20H30O11
H donors: 7 H acceptors: 7 LogP: -2.3 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: OCC1OC(OCC2OC(OC(c3ccccc3)C)C(C(C2O)O)O)C(C(C1O)O)O
InChi: 1S/C20H30O11/c1-9(10-5-3-2-4-6-10)29-20-18(27)16(25)14(23)12(31-20)8-28-19-17(26)15(24)13(22)11(7-21)30-19/h2-6,9,11-27H,7-8H2,1H3
InChiKey: FDEDOZWYQOPCJQ-UHFFFAOYSA-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
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0236	0.2252	0.3014
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0109	0.0217	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Brugia malayi	hypothetical protein	0.0236	0.2252	0.3014
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0419	0.5205	0.7389
Entamoeba histolytica	hypothetical protein	0.0109	0.0217	0.5
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (medium chain)	0.0242	0.2352	0.3162
Schistosoma mansoni	purine nucleoside phosphorylase	0.0529	0.6968	1
Leishmania major	methylthioadenosine phosphorylase, putative	0.0109	0.0217	0.5
Mycobacterium ulcerans	carbon monoxide dehydrogenase	0.0475	0.6102	0.8717
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Chlamydia trachomatis	AMP nucleosidase	0.0109	0.0217	0.5
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0109	0.0217	0.6564
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Mycobacterium ulcerans	carbon monoxyde dehydrogenase medium chain CoxM	0.0242	0.2352	0.3162
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxM_2	0.0242	0.2352	0.3162
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxL_2	0.0338	0.3898	0.5452
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0529	0.6968	0.6901
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	0.2252	0.3014
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0109	0.0217	0.5
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0137	0.0659	0.0654
Leishmania major	nucleoside phosphorylase-like protein	0.0109	0.0217	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0529	0.6968	1
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0529	0.6968	1
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0109	0.0217	0.5
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0137	0.0659	0.0654
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0419	0.5205	0.7389
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (small chain)	0.0137	0.0659	0.0654
Treponema pallidum	pfs protein (pfs)	0.0109	0.0217	0.6564
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0529	0.6968	1
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0338	0.3898	0.5452
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0717	1	1
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0109	0.0217	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Toxoplasma gondii	phosphorylase family protein	0.0109	0.0217	0.5
Toxoplasma gondii	phosphorylase family protein	0.0109	0.0217	0.5
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0529	0.6968	0.5
Plasmodium falciparum	purine nucleoside phosphorylase	0.0109	0.0217	0.5
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Treponema pallidum	hypothetical protein	0.0117	0.0331	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0529	0.6968	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0212	0.1877	0.2458
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Treponema pallidum	quinoline 2-oxidoreductase	0.0114	0.0288	0.8682
Loa Loa (eye worm)	hypothetical protein	0.0236	0.2252	0.4079
Trypanosoma brucei	uridine phosphorylase	0.0109	0.0217	0.5
Mycobacterium ulcerans	hypothetical protein	0.0117	0.0331	0.0169
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Treponema pallidum	uridine phosphorylase (udp)	0.0109	0.0217	0.6564
Loa Loa (eye worm)	hypothetical protein	0.0419	0.5205	1
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0109	0.0217	0.5
Schistosoma mansoni	purine nucleoside phosphorylase	0.0529	0.6968	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (large chain)	0.0338	0.3898	0.5452
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0529	0.6968	1
Trichomonas vaginalis	aldehyde oxidase, putative	0.0717	1	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0419	0.5205	0.7389

Activities

Activity type	Activity value	Assay description	Source	Reference
Chemotactic index (functional)	= 0.77	Chemotactic activity of compound measured as function of concentration of 8 uM compared to peptide T,[DA1a]peptide T and amygdalin	ChEMBL.	15713414

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: 401365

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 315945