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
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0109	0.0217	0.5
Chlamydia trachomatis	AMP nucleosidase	0.0109	0.0217	0.5
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0529	0.6968	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0529	0.6968	1
Mycobacterium ulcerans	hypothetical protein	0.0117	0.0331	0.0169
Treponema pallidum	quinoline 2-oxidoreductase	0.0114	0.0288	0.8682
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0212	0.1877	0.2458
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Schistosoma mansoni	purine nucleoside phosphorylase	0.0529	0.6968	1
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (large chain)	0.0338	0.3898	0.5452
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0529	0.6968	1
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0109	0.0217	0.6564
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Plasmodium vivax	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
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	0.2252	0.3014
Leishmania major	nucleoside phosphorylase-like protein	0.0109	0.0217	0.5
Toxoplasma gondii	phosphorylase family protein	0.0109	0.0217	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0236	0.2252	0.3014
Schistosoma mansoni	purine nucleoside phosphorylase	0.0529	0.6968	1
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0717	1	1
Entamoeba histolytica	hypothetical protein	0.0109	0.0217	0.5
Toxoplasma gondii	phosphorylase family protein	0.0109	0.0217	0.5
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0109	0.0217	0.5
Trypanosoma brucei	uridine phosphorylase	0.0109	0.0217	0.5
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0109	0.0217	0.5
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0529	0.6968	0.5
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (small chain)	0.0137	0.0659	0.0654
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0419	0.5205	0.7389
Mycobacterium ulcerans	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	carbon monoxyde dehydrogenase medium chain CoxM	0.0242	0.2352	0.3162
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Loa Loa (eye worm)	hypothetical protein	0.0236	0.2252	0.4079
Treponema pallidum	uridine phosphorylase (udp)	0.0109	0.0217	0.6564
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0338	0.3898	0.5452
Loa Loa (eye worm)	hypothetical protein	0.0419	0.5205	1
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0529	0.6968	0.6901
Trichomonas vaginalis	aldehyde oxidase, putative	0.0717	1	1
Treponema pallidum	hypothetical protein	0.0117	0.0331	1
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (medium chain)	0.0242	0.2352	0.3162
Leishmania major	methylthioadenosine phosphorylase, putative	0.0109	0.0217	0.5
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0109	0.0217	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0137	0.0659	0.0654
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Brugia malayi	hypothetical protein	0.0236	0.2252	0.3014
Treponema pallidum	pfs protein (pfs)	0.0109	0.0217	0.6564
Mycobacterium ulcerans	carbon monoxide dehydrogenase	0.0475	0.6102	0.8717
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0419	0.5205	0.7389
Plasmodium falciparum	purine nucleoside phosphorylase	0.0109	0.0217	0.5
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxL_2	0.0338	0.3898	0.5452
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0529	0.6968	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0529	0.6968	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0419	0.5205	0.7389
Echinococcus granulosus	purine nucleoside phosphorylase	0.0529	0.6968	1
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0137	0.0659	0.0654
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0109	0.0217	0.5
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.0217	0.5
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0217	0.5

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