TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 282.253 | Formula: C11H14N4O5
H donors: 4 H acceptors: 7 LogP: -1.15 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC([C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2O)O
InChi: 1S/C11H14N4O5/c1-4(16)8-6(17)7(18)11(20-8)15-3-14-5-9(15)12-2-13-10(5)19/h2-4,6-8,11,16-18H,1H3,(H,12,13,19)/t4?,6-,7+,8+,11+/m0/s1
InChiKey: GNEUXCLUOVTONK-ONBHVAQOSA-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	heat shock protein 90, putative	0.0793	1	1
Trypanosoma brucei	heat shock protein, putative	0.0793	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.0793	1	1
Trypanosoma brucei	heat shock protein, putative	0.0793	1	1
Loa Loa (eye worm)	heat shock protein 75	0.0325	0.2236	0.2236
Echinococcus multilocularis	endoplasmin	0.0632	0.7321	0.7007
Trichomonas vaginalis	heat shock protein, putative	0.0325	0.2236	0.0605
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0325	0.2236	0.0605
Echinococcus granulosus	heat shock protein 90	0.0632	0.7321	0.7007
Trypanosoma cruzi	heat shock protein 85, putative	0.0632	0.7321	0.7007
Loa Loa (eye worm)	endoplasmin	0.0793	1	1
Trypanosoma brucei	heat shock protein, putative	0.0793	1	1
Toxoplasma gondii	histone deacetylase HDAC2	0.0295	0.1736	0.0768
Leishmania major	heat shock protein 83-1	0.0793	1	1
Toxoplasma gondii	Hsp90 domain-containing protein	0.0325	0.2236	0.1327
Trypanosoma brucei	Heat shock protein 83, putative	0.0793	1	1
Plasmodium falciparum	histone deacetylase 1	0.0295	0.1736	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0295	0.1736	0.1736
Echinococcus multilocularis	histone deacetylase 3	0.0295	0.1736	0.0768
Plasmodium falciparum	endoplasmin, putative	0.0486	0.4915	0.4319
Plasmodium vivax	heat shock protein, putative	0.0325	0.2236	0.1327
Leishmania major	heat shock protein 83-1	0.0793	1	1
Echinococcus granulosus	histone deacetylase 1	0.0295	0.1736	0.0768
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0325	0.2236	0.5
Schistosoma mansoni	endoplasmin	0.0793	1	1
Toxoplasma gondii	heat shock protein HSP90	0.0793	1	1
Echinococcus multilocularis	heat shock protein 90	0.0793	1	1
Toxoplasma gondii	heat shock protein 90, putative	0.0793	1	1
Trypanosoma brucei	heat shock protein, putative	0.0793	1	1
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0325	0.2236	0.1327
Brugia malayi	Histone deacetylase 1	0.0295	0.1736	0.0768
Toxoplasma gondii	heat shock protein 75, putative	0.0325	0.2236	0.1327
Trypanosoma cruzi	Heat shock protein 83, putative	0.0793	1	1
Trypanosoma brucei	heat shock protein, putative	0.0793	1	1
Leishmania major	heat shock protein 83-1	0.0793	1	1
Trypanosoma brucei	heat shock protein, putative	0.0793	1	1
Leishmania major	heat shock protein 83-1	0.0793	1	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0632	0.7321	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0632	0.7321	0.6758
Brugia malayi	heat shock protein 90	0.0793	1	1
Toxoplasma gondii	histone deacetylase HDAC3	0.0295	0.1736	0.0768
Leishmania major	heat shock protein 83-1	0.0793	1	1
Echinococcus granulosus	histone deacetylase 3	0.0295	0.1736	0.0768
Leishmania major	heat shock protein 83-1	0.0793	1	1
Echinococcus granulosus	endoplasmin	0.0632	0.7321	0.7007
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0325	0.2236	0.1327
Plasmodium vivax	endoplasmin, putative	0.0793	1	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0793	1	1
Brugia malayi	histone deacetylase 3 (HD3)	0.0295	0.1736	0.0768
Loa Loa (eye worm)	histone deacetylase 11	0.0336	0.2415	0.2415
Leishmania major	heat shock protein 83-1	0.0793	1	1
Leishmania major	heat shock protein 83-1	0.0793	1	1
Leishmania major	heat shock protein 83-1	0.0793	1	1
Brugia malayi	histone deacetylase 1 (HD1)	0.0295	0.1736	0.0768
Plasmodium vivax	histone deacetylase 1, putative	0.0295	0.1736	0.0768
Loa Loa (eye worm)	histone deacetylase 7A	0.0253	0.1049	0.1049
Trypanosoma cruzi	heat shock protein 90, putative	0.0468	0.461	0.3979
Trypanosoma brucei	heat shock protein, putative	0.0793	1	1
Brugia malayi	Hsp90 protein	0.0325	0.2236	0.1327
Trypanosoma cruzi	heat shock protein 85, putative	0.0793	1	1
Echinococcus multilocularis	nuclear receptor co repressor related (ncor)	0.0301	0.1842	0.0887
Trichomonas vaginalis	heat shock protein, putative	0.0486	0.4915	0.3847
Treponema pallidum	heat shock protein 90	0.0632	0.7321	0.5
Trypanosoma brucei	histone deacetylase 1	0.0295	0.1736	0.0768
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0632	0.7321	0.7007
Giardia lamblia	Grp94/Hsp90	0.0632	0.7321	0.6758
Echinococcus multilocularis	histone deacetylase 6	0.026	0.1161	0.0125
Plasmodium vivax	histone deacetylase, putative	0.0336	0.2415	0.1526
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0632	0.7321	0.6758
Leishmania major	heat shock protein 83-1	0.0793	1	1
Echinococcus multilocularis	heat shock protein 90	0.0632	0.7321	0.7007
Leishmania major	histone deacetylase, putative	0.0295	0.1736	0.0768
Echinococcus granulosus	heat shock protein	0.0793	1	1
Echinococcus granulosus	heat shock protein 90	0.0793	1	1
Loa Loa (eye worm)	histone deacetylase 3	0.0295	0.1736	0.1736
Brugia malayi	histone deacetylase 11	0.0336	0.2415	0.1526
Leishmania major	heat shock protein 83-1	0.0793	1	1
Loa Loa (eye worm)	histone deacetylase	0.0253	0.1049	0.1049
Trypanosoma brucei	heat shock protein 84, putative	0.0325	0.2236	0.1327
Schistosoma mansoni	heat shock protein	0.0793	1	1
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0632	0.7321	0.5
Trypanosoma brucei	heat shock protein 90, putative	0.0793	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0793	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0793	1	1
Plasmodium falciparum	heat shock protein 90, putative	0.0325	0.2236	0.1327
Leishmania major	heat shock protein 83-1	0.0793	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0632	0.7321	0.6758
Trypanosoma cruzi	heat shock protein, putative	0.0325	0.2236	0.1327
Leishmania major	heat shock protein 83-1	0.0793	1	1
Toxoplasma gondii	histone deacetylase HDAC4	0.0336	0.2415	0.1526
Loa Loa (eye worm)	histone deacetylase 1	0.0295	0.1736	0.1736
Plasmodium falciparum	heat shock protein 90, putative	0.0325	0.2236	0.1327
Loa Loa (eye worm)	heat shock protein 90	0.0793	1	1
Schistosoma mansoni	heat shock protein	0.0793	1	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.0295	0.1736	0.0768
Mycobacterium ulcerans	heat shock protein 90	0.0632	0.7321	0.5
Leishmania major	heat shock protein 83-1	0.0793	1	1
Trypanosoma brucei	heat shock protein, putative	0.0793	1	1
Echinococcus granulosus	nuclear receptor co repressor related ncor	0.0301	0.1842	0.0887
Schistosoma mansoni	endoplasmin	0.0793	1	1
Leishmania major	heat shock protein 83-1	0.0793	1	1
Echinococcus multilocularis	histone deacetylase 1	0.0295	0.1736	0.0768
Schistosoma mansoni	histone deacetylase	0.0295	0.1736	0.0768
Leishmania major	heat shock protein, putative	0.0325	0.2236	0.1327
Trichomonas vaginalis	endoplasmin, putative	0.0486	0.4915	0.3847
Leishmania major	histone deacetylase, putative	0.0295	0.1736	0.0768
Echinococcus multilocularis	heat shock protein	0.0793	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0632	0.7321	0.7007
Entamoeba histolytica	heat shock protein 90, putative	0.0793	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0793	1	1
Plasmodium falciparum	heat shock protein 90	0.0793	1	1
Plasmodium vivax	heat shock protein 86, putative	0.0793	1	1
Plasmodium vivax	heat shock protein 90, putative	0.0325	0.2236	0.1327
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0632	0.7321	0.5
Schistosoma mansoni	histone deacetylase	0.0295	0.1736	0.0768
Echinococcus granulosus	histone deacetylase 6	0.026	0.1161	0.0125
Trypanosoma cruzi	heat shock protein 85, putative	0.0793	1	1
Leishmania major	heat shock protein 83-1	0.0793	1	1
Leishmania major	heat shock protein 83-1	0.0793	1	1
Schistosoma mansoni	histone deacetylase hda2	0.026	0.1161	0.0125
Trichomonas vaginalis	heat shock protein, putative	0.0632	0.7321	0.6758
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0632	0.7321	0.7007
Schistosoma mansoni	heat shock protein	0.0325	0.2236	0.1327
Trypanosoma cruzi	histone deacetylase 1, putative	0.0295	0.1736	0.0768

Activities

No activities found for this compound.

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: CHEMBL1791410

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1549021