TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 242.229 | Formula: C10H14N2O5
H donors: 2 H acceptors: 3 LogP: -0.89 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1ncc(cc1=O)OC
InChi: 1S/C10H14N2O5/c1-16-6-2-9(15)12(11-4-6)10-3-7(14)8(5-13)17-10/h2,4,7-8,10,13-14H,3,5H2,1H3/t7-,8+,10+/m0/s1
InChiKey: WXPHBAHFWSKYIE-QXFUBDJGSA-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
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0103	0.3615	0.3615
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0256	1	1
Brugia malayi	hypothetical protein	0.0256	1	1
Echinococcus granulosus	transmembrane protease serine 3	0.0256	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0016	0	0.5
Echinococcus multilocularis	enteropeptidase	0.0256	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0363	1
Schistosoma mansoni	transcription factor LCR-F1	0.0066	0.2072	0.2072
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0016	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0256	1	1
Onchocerca volvulus		0.0256	1	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0363	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Echinococcus multilocularis	Mastin	0.0256	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0363	1
Brugia malayi	Trypsin family protein	0.0256	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0111	0.3958	0.3958
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0363	1
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0256	1	1
Entamoeba histolytica	hypothetical protein	0.0066	0.2072	1
Brugia malayi	Trypsin family protein	0.0256	1	1
Entamoeba histolytica	hypothetical protein	0.0066	0.2072	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0363	1
Onchocerca volvulus		0.0256	1	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0363	0.0363
Brugia malayi	hypothetical protein	0.0025	0.0363	0.0363
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0111	0.3958	0.3958
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0363	1
Loa Loa (eye worm)	hypothetical protein	0.0256	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0256	1	1
Loa Loa (eye worm)	hypothetical protein	0.0256	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0066	0.2072	0.2072
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0066	0.2072	0.2072
Schistosoma mansoni	hypothetical protein	0.0256	1	1
Echinococcus multilocularis	transmembrane protease serine 3	0.0256	1	1
Schistosoma mansoni	hypothetical protein	0.0171	0.6447	0.6447
Brugia malayi	hypothetical protein	0.0066	0.2072	0.2072
Schistosoma mansoni	hypothetical protein	0.0066	0.2072	0.2072
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Onchocerca volvulus		0.0256	1	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0256	1	1
Entamoeba histolytica	hypothetical protein	0.0066	0.2072	1
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0256	1	1
Echinococcus multilocularis	glycoprotein Antigen 5	0.0256	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0256	1	1
Loa Loa (eye worm)	hypothetical protein	0.0256	1	1
Loa Loa (eye worm)	hypothetical protein	0.0256	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0256	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0363	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0363	1
Echinococcus multilocularis	geminin	0.0171	0.6447	0.6447
Echinococcus granulosus	enteropeptidase	0.0256	1	1
Schistosoma mansoni	hypothetical protein	0.0103	0.3615	0.3615
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0256	1	1
Loa Loa (eye worm)	trypsin family protein	0.0256	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0016	0	0.5
Echinococcus granulosus	Mastin	0.0256	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0256	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0256	1	1
Brugia malayi	hypothetical protein	0.0016	0.0001	0.0001
Onchocerca volvulus		0.0256	1	0.5
Entamoeba histolytica	hypothetical protein	0.0066	0.2072	1
Schistosoma mansoni	hypothetical protein	0.0256	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0111	0.3958	0.3958
Loa Loa (eye worm)	hypothetical protein	0.0256	1	1
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0256	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0256	1	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0016	0	0.5
Echinococcus granulosus	geminin	0.0171	0.6447	0.6447
Loa Loa (eye worm)	hypothetical protein	0.0256	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0256	1	1
Echinococcus granulosus	glycoprotein Antigen 5	0.0256	1	1
Onchocerca volvulus		0.0256	1	0.5
Brugia malayi	Trypsin-like protease protein 5	0.0256	1	1
Schistosoma mansoni	hypothetical protein	0.0171	0.6447	0.6447
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0103	0.3615	0.3615
Trichomonas vaginalis	ap endonuclease, putative	0.0016	0	0.5
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0016	0	0.5
Onchocerca volvulus		0.0256	1	0.5
Brugia malayi	Trypsin family protein	0.0256	1	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0256	1	1
Mycobacterium ulcerans	hypothetical protein	0.0256	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ILS (functional)	> 25 %	In vivo percent increase in life span (%ILS) of mice bearing L1210 leukemia at a dose of 400 mg/kg	ChEMBL.	7108897

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: CHEMBL3143600

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1851401