TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 319.356 | Formula: C16H21N3O4
H donors: 2 H acceptors: 3 LogP: 0.94 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(OCCCNC(=O)c1c(=O)nc2n(c1O)ccc(c2)C)C
InChi: 1S/C16H21N3O4/c1-10(2)23-8-4-6-17-14(20)13-15(21)18-12-9-11(3)5-7-19(12)16(13)22/h5,7,9-10,22H,4,6,8H2,1-3H3,(H,17,20)
InChiKey: RRYRQHIOCXVOGT-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
Mycobacterium ulcerans	heat shock protein 90	0.0334	0.1214	0.1214
Trypanosoma brucei	heat shock protein, putative	0.042	0.1778	0.4927
Trypanosoma cruzi	heat shock protein 90, putative	0.042	0.1778	0.4927
Trypanosoma cruzi	heat shock protein 85, putative	0.042	0.1778	0.4927
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0334	0.1214	0.1214
Trypanosoma cruzi	heat shock protein 85, putative	0.0334	0.1214	0.3227
Plasmodium falciparum	endoplasmin, putative	0.0258	0.0707	0.345
Brugia malayi	heat shock protein 90	0.042	0.1778	0.4985
Schistosoma mansoni	heat shock protein	0.042	0.1778	0.4985
Trypanosoma brucei	heat shock protein, putative	0.042	0.1778	0.4927
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0172	0.0143	0.0293
Trichomonas vaginalis	heat shock protein, putative	0.0258	0.0707	0.1794
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0334	0.1214	0.3304
Trichomonas vaginalis	heat shock protein, putative	0.042	0.1778	0.4985
Echinococcus multilocularis	heat shock protein	0.042	0.1778	0.4985
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0675	0.3462	1
Brugia malayi	NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor	0.0675	0.3462	1
Trypanosoma brucei	heat shock protein, putative	0.042	0.1778	0.4927
Trypanosoma cruzi	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0675	0.3462	1
Schistosoma mansoni	hypothetical protein	0.0317	0.1102	0.2971
Trypanosoma brucei	Heat shock protein 83, putative	0.042	0.1778	0.4927
Onchocerca volvulus	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog	0.0362	0.1395	1
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Plasmodium falciparum	heat shock protein 90	0.042	0.1778	1
Echinococcus granulosus	heat shock protein 90	0.042	0.1778	0.4985
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0172	0.0143	0.0113
Echinococcus multilocularis	heat shock protein 90	0.042	0.1778	0.4985
Loa Loa (eye worm)	hypothetical protein	0.0166	0.0105	0.0249
Brugia malayi	Hsp90 protein	0.0172	0.0143	0.0113
Trypanosoma brucei	heat shock protein 90, putative	0.042	0.1778	0.4927
Echinococcus granulosus	endoplasmin	0.0334	0.1214	0.3304
Trichomonas vaginalis	heat shock protein, putative	0.0334	0.1214	0.3304
Trypanosoma cruzi	heat shock protein 85, putative	0.042	0.1778	0.4927
Trichomonas vaginalis	heat shock protein, putative	0.0334	0.1214	0.3304
Trypanosoma brucei	heat shock protein, putative	0.042	0.1778	0.4927
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0172	0.0143	0.0226
Giardia lamblia	Heat shock protein HSP 90-alpha	0.042	0.1778	1
Loa Loa (eye worm)	hypoxia-induced factor 1	0.031	0.1051	0.2997
Schistosoma mansoni	heat shock protein	0.0172	0.0143	0.0113
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0334	0.1214	0.3227
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.1665	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.042	0.1778	0.4927
Entamoeba histolytica	heat shock protein 90, putative	0.042	0.1778	1
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Trypanosoma brucei	heat shock protein, putative	0.042	0.1778	0.4927
Schistosoma mansoni	heat shock protein	0.042	0.1778	0.4985
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Trypanosoma brucei	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative	0.0675	0.3462	1
Plasmodium vivax	heat shock protein 86, putative	0.042	0.1778	1
Echinococcus granulosus	NADH dehydrogenase ubiquinone flavoprotein 1	0.0675	0.3462	1
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0334	0.1214	0.0473
Trypanosoma brucei	heat shock protein, putative	0.042	0.1778	0.4927
Loa Loa (eye worm)	heat shock protein 75	0.0172	0.0143	0.0359
Mycobacterium ulcerans	proteasome PrcA	0.1665	1	1
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Loa Loa (eye worm)	NADH-ubiquinone oxidoreductase 51 kDa subunit	0.0675	0.3462	1
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Treponema pallidum	heat shock protein 90	0.0334	0.1214	1
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase I subunit F	0.0675	0.3462	1
Loa Loa (eye worm)	hypothetical protein	0.0336	0.1222	0.3495
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H)	0.0317	0.1102	0.1102
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Brugia malayi	Endoplasmin precursor	0.042	0.1778	0.4985
Echinococcus granulosus	NADH dehydrogenase subunit 1	0.0317	0.1102	0.2971
Trichomonas vaginalis	endoplasmin, putative	0.0258	0.0707	0.1794
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Trypanosoma cruzi	heat shock protein 90, putative	0.0248	0.0643	0.1507
Trypanosoma brucei	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	0.0675	0.3462	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F)	0.0675	0.3462	0.3462
Trichomonas vaginalis	heat shock protein, putative	0.0334	0.1214	0.3304
Loa Loa (eye worm)	endoplasmin	0.042	0.1778	0.5109
Mycobacterium ulcerans	NADH dehydrogenase subunit H	0.0317	0.1102	0.1102
Loa Loa (eye worm)	hypothetical protein	0.0166	0.0105	0.0249
Loa Loa (eye worm)	heat shock protein 90	0.042	0.1778	0.5109
Trypanosoma brucei	heat shock protein, putative	0.042	0.1778	0.4927
Leishmania major	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0675	0.3462	1
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0675	0.3462	1
Schistosoma mansoni	endoplasmin	0.042	0.1778	0.4985
Entamoeba histolytica	heat shock protein 90, putative	0.042	0.1778	1
Schistosoma mansoni	endoplasmin	0.042	0.1778	0.4985
Trypanosoma cruzi	heat shock protein 90, putative	0.0334	0.1214	0.3227
Toxoplasma gondii	heat shock protein 90, putative	0.042	0.1778	1
Echinococcus multilocularis	endoplasmin	0.0334	0.1214	0.3304
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Echinococcus multilocularis	heat shock protein 90	0.0334	0.1214	0.3304
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Plasmodium vivax	endoplasmin, putative	0.042	0.1778	1
Trichomonas vaginalis	heat shock protein, putative	0.0172	0.0143	0.0113
Trypanosoma brucei	heat shock protein, putative	0.042	0.1778	0.4927
Echinococcus granulosus	heat shock protein 90	0.0334	0.1214	0.3304
Toxoplasma gondii	heat shock protein HSP90	0.042	0.1778	1
Mycobacterium ulcerans	NADH dehydrogenase I subunit F	0.0675	0.3462	0.3462
Echinococcus multilocularis	NADH dehydrogenase (ubiquinone) flavoprotein 1	0.0675	0.3462	1
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0172	0.0143	0.0113
Brugia malayi	hypoxia-induced factor 1	0.031	0.1051	0.2818
Trypanosoma cruzi	Heat shock protein 83, putative	0.042	0.1778	0.4927
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927
Echinococcus granulosus	heat shock protein	0.042	0.1778	0.4985
Schistosoma mansoni	NADH-ubiquinone oxidoreductase	0.0675	0.3462	1
Trypanosoma cruzi	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0675	0.3462	1
Trypanosoma cruzi	heat shock protein 85, putative	0.042	0.1778	0.4927
Brugia malayi	hypothetical protein	0.0336	0.1222	0.3329
Leishmania major	heat shock protein 83-1	0.042	0.1778	0.4927

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 834531