TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 312.282 | Formula: C11H16N6O5
H donors: 6 H acceptors: 5 LogP: -2.41 Rotable bonds: 3
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(NC)nc2c1nc(N)[nH]c2=O
InChi: 1S/C11H16N6O5/c1-13-11-14-4-7(15-10(12)16-8(4)21)17(11)9-6(20)5(19)3(2-18)22-9/h3,5-6,9,18-20H,2H2,1H3,(H,13,14)(H3,12,15,16,21)/t3-,5-,6-,9-/m1/s1
InChiKey: XKILAGHGKVXARL-UUOKFMHZSA-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

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	DNA polymerase kappa, putative	0.0022	0.0465	0.3449
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0465	0.0795
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0091	0.0156
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0091	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0465	0.0744
Brugia malayi	hypothetical protein	0.001	0.0091	0.0146
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0465	0.0744
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0465	0.3449
Echinococcus granulosus	Small ubiquitin modifier 2	0.0035	0.0872	0.1492
Brugia malayi	N-terminal motif family protein	0.0208	0.6243	1
Schistosoma mansoni	ubiquitin-like protein sumo/smt3-related	0.0035	0.0872	0.1492
Toxoplasma gondii	small ubiquitin family modifier, putative	0.0035	0.0872	1
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0091	0.0156
Schistosoma mansoni	dep domain containing protein	0.001	0.0091	0.0156
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0465	0.0795
Schistosoma mansoni	hypothetical protein	0.0195	0.5846	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0465	0.3449
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0872	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0091	0.0156
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0465	0.0795
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0465	0.0795
Leishmania major	small ubiquitin protein, putative	0.0035	0.0872	1
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0091	0.0156
Treponema pallidum	hypothetical protein	0.0329	1	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0465	0.5326
Onchocerca volvulus		0.001	0.0091	0.0146
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0465	0.5326
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.001	0.0091	0.0146
Brugia malayi	regulator of G-protein signaling egl-10	0.001	0.0091	0.0146
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0465	0.0795
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0465	0.5326
Entamoeba histolytica	hypothetical protein	0.0012	0.0158	0.1807
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.001	0.0091	0.0146
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0465	0.0744
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0329	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0465	0.3449
Schistosoma mansoni	dishevelled	0.001	0.0091	0.0156
Entamoeba histolytica	ubiquitin like protein	0.0035	0.0872	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0465	0.5326
Brugia malayi	Ubiquitin-like protein SMT3	0.0035	0.0872	0.1397
Echinococcus granulosus	geminin	0.0195	0.5846	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0465	0.3449
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0091	0.0156
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0329	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0465	0.5326
Loa Loa (eye worm)	hypothetical protein	0.0208	0.6243	1
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0329	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0158	0.1807
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0465	0.3449
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0465	0.5326
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0091	0.0156
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.001	0.0091	0.0156
Echinococcus multilocularis	geminin	0.0195	0.5846	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0091	0.0146
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0465	0.5326
Brugia malayi	DIX domain containing protein	0.001	0.0091	0.0146
Giardia lamblia	Sentrin	0.0035	0.0872	1
Schistosoma mansoni	dishevelled	0.001	0.0091	0.0156
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Trichomonas vaginalis	ubiquitin, putative	0.0012	0.0158	0.1807
Echinococcus granulosus	dna polymerase eta	0.0022	0.0465	0.0795
Echinococcus granulosus	Pleckstrin G protein interacting region	0.001	0.0091	0.0156
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0091	0.0156
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0465	0.3449
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0465	0.0744
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.001	0.0091	0.0156
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0465	0.0795
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0091	0.0146
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0465	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0158	0.0252
Schistosoma mansoni	z-protein (S1r protein)	0.001	0.0091	0.0156
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0465	0.3449
Loa Loa (eye worm)	DIX domain-containing protein	0.001	0.0091	0.0146
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0465	0.0795
Trypanosoma brucei	small ubiquitin-related modifier	0.0035	0.0872	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0465	0.3449
Echinococcus multilocularis	Small ubiquitin modifier 2	0.0035	0.0872	0.1492
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0465	0.5326
Trypanosoma brucei	unspecified product	0.0022	0.0465	0.3449
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0329	1	1
Loa Loa (eye worm)	SMO-1 protein	0.0035	0.0872	0.1397
Onchocerca volvulus		0.0012	0.0158	0.0252
Schistosoma mansoni	hypothetical protein	0.0195	0.5846	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0465	0.3449
Trypanosoma cruzi	small ubiquitin protein, putative	0.0035	0.0872	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0465	0.3449
Echinococcus granulosus	ubiquitin	0.0012	0.0158	0.027
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0465	0.3449
Echinococcus multilocularis	ubiquitin	0.0012	0.0158	0.027
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0465	0.3449
Brugia malayi	hypothetical protein	0.001	0.0091	0.0146
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0465	0.3449
Brugia malayi	hypothetical protein	0.0012	0.0158	0.0252
Trypanosoma cruzi	small ubiquitin protein, putative	0.0035	0.0872	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0208	0.6243	1
Schistosoma mansoni	regulator of G protein signaling	0.001	0.0091	0.0156

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 0 %	Activity of human erythrocyte purine nucleoside phosphorylase assessed as ribose relase at 5 umol after 30 mins by orcinol reaction relative to guanosine	ChEMBL.	31484
ID50 (functional)	= 4.9 mM	Inhibitory activity against cellular replication in hypoxanthine-guanine phosphoribosyltransferase (HGPRT-) HL-60 cells.	ChEMBL.	3861870

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: CHEMBL3246760

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 1895300