TDR Targets

Basic information

Technical information

TDR Targets ID: 25619
Name: 5-(6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymet hyl)oxolan-3-ol
MW: 298.27 | Formula: C12H15FN4O4
H donors: 2 H acceptors: 5 LogP: 0.14 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ncnc2c1ncn2C1OC(C(C1F)O)CO
InChi: 1S/C12H15FN4O4/c1-2-20-11-8-10(14-4-15-11)17(5-16-8)12-7(13)9(19)6(3-18)21-12/h4-7,9,12,18-19H,2-3H2,1H3
InChiKey: OTWGTLSBQTZYQK-UHFFFAOYSA-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

5-(6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol
5-(6-ethoxy-9-purinyl)-4-fluoro-2-(hydroxymethyl)-3-tetrahydrofuranol
5-(6-ethoxypurin-9-yl)-4-fluoro-2-methylol-tetrahydrofuran-3-ol

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
Schistosoma mansoni	hypothetical protein	0.01	0.3133	0.6861
Leishmania major	hypothetical protein, conserved	0.0025	0.0058	0.5
Echinococcus multilocularis	glutamate receptor 2	0.02	0.723	1
Loa Loa (eye worm)	glutamate receptor 2	0.0059	0.1459	0.1627
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0059	0.1459	0.1831
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0134	0.449	0.6121
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0899	0.1695
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0899	0.1695
Schistosoma mansoni	glutamate receptor kainate	0.0059	0.1459	0.2991
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0052	0.114	0.1378
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0236	0.8668	1
Echinococcus multilocularis	glutamate receptor 2	0.0173	0.6091	0.8387
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0074	0.2044	0.2658
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0024	0	0.5
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0074	0.2044	0.2658
Schistosoma mansoni	glutamate receptor kainate	0.0059	0.1459	0.2991
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0409	0.0562
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.02	0.723	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0409	0.0344
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0409	0.0562
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0409	0.0562
Schistosoma mansoni	glutamate receptor AMPA	0.0059	0.1459	0.2991
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0024	0	0.5
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.02	0.723	1
Schistosoma mansoni	lipoxygenase	0.0093	0.2846	0.6198
Schistosoma mansoni	lipoxygenase	0.0134	0.449	1
Brugia malayi	Glutamate receptor 1 precursor	0.0186	0.6646	0.7652
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0074	0.2044	0.2658
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0409	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0074	0.2044	0.2658
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0358	0.0272
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0059	0.1459	0.1831
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0058	0.5
Loa Loa (eye worm)	glutamate receptor 1	0.0186	0.6646	0.7652
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0409	0.0562
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0155	0.5353	0.7342
Echinococcus granulosus	glutamate receptor 1	0.0127	0.4213	0.5729
Brugia malayi	Pre-SET motif family protein	0.0034	0.0409	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0127	0.4213	0.4826
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0074	0.2044	0.2658
Loa Loa (eye worm)	hypothetical protein	0.0127	0.4213	0.4826
Chlamydia trachomatis	glutamine binding protein	0.0024	0	0.5
Brugia malayi	Glutamate receptor 2 precursor	0.0186	0.6646	0.7652
Schistosoma mansoni	glutamate receptor AMPA	0.0059	0.1459	0.2991
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0899	0.0977
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0134	0.449	0.6121
Echinococcus multilocularis	nmda type glutamate receptor	0.0052	0.114	0.1378
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0058	0.5
Echinococcus granulosus	nmda type glutamate receptor	0.0052	0.114	0.1378
Echinococcus multilocularis	glutamate receptor 2	0.0186	0.6646	0.9173
Echinococcus granulosus	glutamate receptor 4	0.0127	0.4213	0.5729
Trypanosoma brucei	RNA helicase, putative	0.01	0.3133	1
Echinococcus multilocularis	glutamate receptor 4	0.0127	0.4213	0.5729
Brugia malayi	Pre-SET motif family protein	0.0236	0.8668	1
Plasmodium vivax	SET domain protein, putative	0.0034	0.0409	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0899	0.0977
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0899	0.1038
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0409	0.0344
Schistosoma mansoni	glutamate receptor NMDA	0.0059	0.1459	0.2991
Schistosoma mansoni	glutamate receptor NMDA	0.0074	0.2044	0.4342
Echinococcus granulosus	glutamate receptor 2	0.0173	0.6091	0.8387
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0074	0.2044	0.2658
Schistosoma mansoni	glutamate receptor kainate	0.0059	0.1459	0.2991
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0058	0.5
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0155	0.5353	0.7342
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0058	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0899	0.1038
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0024	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0899	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0409	0.0408
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0024	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0899	0.1038
Echinococcus granulosus	glutamate receptor 2	0.02	0.723	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0409	0.0344
Trichomonas vaginalis	set domain proteins, putative	0.0268	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0127	0.4213	0.4826
Schistosoma mansoni	ATP-binding cassette transporter	0.0059	0.1459	0.2991
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0024	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0899	0.1038

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 100 uM	Antiviral activity against Infuenza virus (A/Sweden/3/50/(H1N1)) in dog kidney (MDCK) cells expressed.	ChEMBL.	8421277
IC50 (ADMET)	> 500 uM	Cytotoxicity in uninfected dog kidney (MDCK) cells.	ChEMBL.	8421277

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: 127056
PubChem: 19934358

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 25619