TDR Targets

Basic information

Technical information

TDR Targets ID: 38151
Name: 2-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,6-di hydropurin-9-yl]oxolane-3,4-diol
MW: 284.269 | Formula: C11H16N4O5
H donors: 5 H acceptors: 5 LogP: -2.45 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OCC1OC(C(C1O)O)n1cnc2c1NC=NC2CO
InChi: 1S/C11H16N4O5/c16-1-5-7-10(13-3-12-5)15(4-14-7)11-9(19)8(18)6(2-17)20-11/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)
InChiKey: IHCROVKYMVBOKC-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

2-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,6-dihydropurin-9-yl]tetrahydrofuran-3,4-diol
2-methylol-5-(6-methylol-3,6-dihydropurin-9-yl)tetrahydrofuran-3,4-diol
1,6-dihydro-6-(hydroxymethyl)purine riboside

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	type A flavoprotein, putative	0.0206	0.3655	1
Onchocerca volvulus		0.0061	0.0893	1
Loa Loa (eye worm)	hypothetical protein	0.0538	1	1
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0238	0.0238
Chlamydia trachomatis	sulfite reductase	0.0332	0.607	1
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0538	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0245	0.4404	0.4404
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0538	1	1
Loa Loa (eye worm)	diaphorase	0.0061	0.0893	0.0893
Schistosoma mansoni	cytochrome B5	0.0061	0.0893	0.0853
Toxoplasma gondii	flavodoxin domain-containing protein	0.0267	0.4823	1
Echinococcus multilocularis	geminin	0.0173	0.3028	0.2998
Echinococcus granulosus	cytochrome b5 reductase 4	0.0061	0.0893	0.0853
Schistosoma mansoni	eyes absent homolog	0.0096	0.155	0.1513
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0909	0.004
Loa Loa (eye worm)	MH2 domain-containing protein	0.0245	0.4404	0.4404
Echinococcus multilocularis	muscleblind protein 1	0.0149	0.2571	0.2539
Entamoeba histolytica	type A flavoprotein, putative	0.0206	0.3655	1
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0206	0.3655	0.3033
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0909	0.0869
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0647	0.0606
Schistosoma mansoni	NADH-cytochrome B5 reductase	0.0061	0.0893	0.0853
Schistosoma mansoni	glutaminase	0.0288	0.5233	0.5212
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0271	0.4902	0.4879
Echinococcus granulosus	lamin dm0	0.0027	0.0238	0.0196
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0909	1
Schistosoma mansoni	hypothetical protein	0.0173	0.3028	0.2998
Loa Loa (eye worm)	cytochrome b5 reductase 4	0.0061	0.0893	0.0893
Echinococcus multilocularis	musashi	0.0027	0.0238	0.0196
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0909	0.0017
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0647	0.0647
Echinococcus granulosus	lamin	0.0027	0.0238	0.0196
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0647	0.0606
Echinococcus granulosus	NADH cytochrome b5 reductase 3	0.0061	0.0893	0.0853
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0909	0.0869
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0538	1	1
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0538	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0647	0.0647
Loa Loa (eye worm)	flavodoxin family protein	0.0206	0.3655	0.3655
Schistosoma mansoni	hypothetical protein	0.0173	0.3028	0.2998
Entamoeba histolytica	type A flavoprotein, putative	0.0206	0.3655	1
Brugia malayi	diaphorase	0.0061	0.0893	0.0893
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0206	0.3655	0.3033
Leishmania major	p450 reductase, putative	0.0538	1	1
Schistosoma mansoni	cytochrome P450 reductase	0.0538	1	1
Trypanosoma cruzi	p450 reductase, putative	0.0538	1	1
Brugia malayi	flavodoxin family protein	0.0206	0.3655	0.3655
Brugia malayi	hypothetical protein	0.0096	0.155	0.155
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0538	1	1
Mycobacterium ulcerans	glutaminase	0.0288	0.5233	0.4765
Leishmania major	hypothetical protein, conserved	0.0206	0.3655	0.3033
Brugia malayi	Muscleblind-like protein	0.0149	0.2571	0.2571
Plasmodium falciparum	nitric oxide synthase, putative	0.0538	1	1
Loa Loa (eye worm)	Smad1	0.0017	0.0044	0.0044
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0538	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0238	0.0238
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0909	0.0869
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0647	0.0606
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0238	0.0196
Brugia malayi	MH2 domain containing protein	0.0245	0.4404	0.4404
Treponema pallidum	flavodoxin	0.0206	0.3655	1
Plasmodium vivax	flavodoxin domain containing protein	0.0477	0.8832	0.8717
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0477	0.8832	0.8159
Echinococcus granulosus	geminin	0.0173	0.3028	0.2998
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0206	0.3655	0.3033
Echinococcus granulosus	muscleblind protein	0.0149	0.2571	0.2539
Brugia malayi	MH1 domain containing protein	0.0017	0.0044	0.0044
Brugia malayi	MH2 domain containing protein	0.0017	0.0044	0.0044
Echinococcus multilocularis	lamin dm0	0.0027	0.0238	0.0196
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.045	0.0408
Brugia malayi	glutaminase DH11.1	0.0288	0.5233	0.5233
Schistosoma mansoni	lamin	0.0027	0.0238	0.0196
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0647	0.0606
Giardia lamblia	Nitric oxide synthase, inducible	0.0477	0.8832	1
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2571	0.2571
Echinococcus multilocularis	NADH cytochrome b5 reductase 3	0.0061	0.0893	0.0853
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0538	1	1
Loa Loa (eye worm)	glutaminase 2	0.0288	0.5233	0.5233
Brugia malayi	intermediate filament protein	0.0027	0.0238	0.0238
Echinococcus multilocularis	lamin	0.0027	0.0238	0.0196
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0538	1	1
Schistosoma mansoni	hypothetical protein	0.0038	0.045	0.0408
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0647	0.0606
Entamoeba histolytica	type A flavoprotein, putative	0.0206	0.3655	1
Brugia malayi	MH2 domain containing protein	0.0017	0.0044	0.0044
Echinococcus granulosus	intermediate filament protein	0.0027	0.0238	0.0196
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0538	1	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0238	0.0238
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.045	0.0408
Brugia malayi	FAD binding domain containing protein	0.0332	0.607	0.607
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0044	0.0044
Trichomonas vaginalis	glutaminase, putative	0.0288	0.5233	0.2486
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0332	0.607	0.607
Brugia malayi	Cytochrome b5-like Heme/Steroid binding domain containing protein	0.0061	0.0893	0.0893
Echinococcus granulosus	cytochrome b5 reductase 4	0.0061	0.0893	0.0853
Brugia malayi	hypothetical protein	0.0038	0.045	0.045
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0909	0.0869
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0538	1	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.155	0.155
Entamoeba histolytica	type A flavoprotein, putative	0.0206	0.3655	1
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0206	0.3655	0.3033
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0538	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0647	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0096	0.155	0.155
Echinococcus granulosus	methionine synthase reductase	0.0332	0.607	0.6052
Brugia malayi	FAD binding domain containing protein	0.0538	1	1
Giardia lamblia	Hypothetical protein	0.0477	0.8832	1
Leishmania major	cytochrome P450 reductase, putative	0.0477	0.8832	0.8717
Echinococcus multilocularis	muscleblind protein	0.0149	0.2571	0.2539
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2571	0.2571
Trichomonas vaginalis	sulfite reductase, putative	0.0538	1	1
Brugia malayi	MH1 domain containing protein	0.0017	0.0044	0.0044
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0647	0.0606
Echinococcus multilocularis	cytochrome b5 reductase 4	0.0061	0.0893	0.0853
Plasmodium vivax	hypothetical protein, conserved	0.0206	0.3655	0.3033
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0538	1	1
Schistosoma mansoni	diflavin oxidoreductase	0.0267	0.4823	0.4801
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0332	0.607	0.6052
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0044	0.0044
Brugia malayi	Smad1	0.0017	0.0044	0.0044
Schistosoma mansoni	lamin	0.0027	0.0238	0.0196
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0206	0.3655	0.3033
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0229	0.0229
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0206	0.3655	0.3033
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0909	0.0017
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0909	0.0017
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0909	0.0017
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0538	1	1
Loa Loa (eye worm)	glutaminase	0.0288	0.5233	0.5233
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0538	1	1
Toxoplasma gondii	flavodoxin domain-containing protein	0.0267	0.4823	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0238	0.0238
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0538	1	1
Echinococcus multilocularis	methionine synthase reductase	0.0332	0.607	0.6052
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.045	0.0408

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.00001 M	Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase	ChEMBL.	3735306

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: 139744
PubChem: 3637121

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 38151