TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.205 | Formula: C11H14NO7P
H donors: 5 H acceptors: 7 LogP: -1.02 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CP(=O)(O)O)NC(C(=O)O)Cc1ccc(cc1)O
InChi: 1S/C11H14NO7P/c13-8-3-1-7(2-4-8)5-9(11(15)16)12-10(14)6-20(17,18)19/h1-4,9,13H,5-6H2,(H,12,14)(H,15,16)(H2,17,18,19)
InChiKey: LEZMMQVWKKLPBS-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
Echinococcus multilocularis	FTZ F1 alpha	0.0017	0.0128	0.0291
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0017	0.0128	0.0291
Schistosoma mansoni	thyroid hormone receptor	0.0017	0.0128	0.0128
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0017	0.0128	0.0291
Echinococcus multilocularis	Ankyrin	0.0014	0.0005	0.0011
Onchocerca volvulus	Protein ultraspiracle homolog	0.0017	0.0128	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0017	0.0128	0.0291
Brugia malayi	photoreceptor-specific nuclear receptor	0.0017	0.0128	0.0128
Brugia malayi	ecdysteroid receptor	0.0017	0.0128	0.0128
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0021	0.0279	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0017	0.0128	0.0123
Brugia malayi	follicle stimulating hormone receptor	0.0238	0.8859	0.8859
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0017	0.0128	0.0128
Schistosoma mansoni	glutaminase	0.0267	1	1
Echinococcus multilocularis	succinate semialdehyde dehydrogenase	0.0034	0.0805	0.1834
Trichomonas vaginalis	glutaminase, putative	0.0267	1	1
Plasmodium falciparum	ornithine aminotransferase	0.0021	0.0279	0.5
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.1994	0.1994
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0128	0.0128
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0017	0.0128	0.0291
Brugia malayi	Succinate semialdehyde dehydrogenase, mitochondrial precursor	0.0034	0.0805	0.0805
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.1994	0.4545
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.1994	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0017	0.0128	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0123
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0017	0.0128	0.0123
Echinococcus multilocularis	succinate semialdehyde dehydrogenase	0.0034	0.0805	0.1834
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0125	0.4386	0.4225
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0017	0.0128	0.0123
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0072	0.2288	0.5217
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	0.0034	0.0805	0.0616
Plasmodium vivax	ornithine aminotransferase, putative	0.0021	0.0279	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0017	0.0128	0.0128
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0017	0.0128	0.0123
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0021	0.0279	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0017	0.0128	0.0291
Echinococcus multilocularis	ornithine aminotransferase	0.0021	0.0279	0.0637
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0017	0.0128	0.0128
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0125	0.4386	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0017	0.0128	0.0128
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.092	0.2098
Loa Loa (eye worm)	steroid hormone receptor	0.0017	0.0128	0.0123
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0017	0.0128	0.0128
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0072	0.2288	0.5217
Mycobacterium ulcerans	L-lysine aminotransferase	0.0237	0.8808	0.8774
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0123
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0125	0.4386	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0017	0.0128	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0805	0.08
Onchocerca volvulus		0.0017	0.0128	0.5
Echinococcus multilocularis	Aminotransferase class III	0.0021	0.0279	0.0637
Brugia malayi	nuclear hormone receptor	0.0017	0.0128	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0123
Brugia malayi	nuclear receptor NHR-88	0.0017	0.0128	0.0128
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0017	0.0128	0.0291
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0017	0.0128	0.0128
Brugia malayi	steroid hormone receptor	0.0017	0.0128	0.0128
Schistosoma mansoni	thyroid hormone receptor	0.0017	0.0128	0.0128
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0017	0.0128	0.0128
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0237	0.8808	1
Toxoplasma gondii	NADP-dependent succinate-semialdehyde dehydrogenase	0.0034	0.0805	0.1279
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0014	0.0005	0.0005
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.1994	0.332
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0125	0.4386	0.4225
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0017	0.0128	0.0291
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0017	0.0128	0.0128
Schistosoma mansoni	aldehyde dehydrogenase	0.0125	0.4386	0.4386
Echinococcus granulosus	Ankyrin	0.0014	0.0005	0.0011
Echinococcus granulosus	Aminotransferase class III	0.0021	0.0279	0.0637
Mycobacterium ulcerans	NAD-dependent aldehyde dehydrogenase AldA	0.0034	0.0805	0.054
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0017	0.0128	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0017	0.0128	0.0128
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0017	0.0128	0.0291
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0125	0.4386	0.4815
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0017	0.0128	0.0291
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.1994	0.199
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0017	0.0128	0.0128
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0017	0.0128	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0123
Schistosoma mansoni	RAR-like nuclear receptor	0.0017	0.0128	0.0128
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0017	0.0128	0.0291
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0238	0.8859	0.8858
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.092	0.2098
Echinococcus multilocularis	ornithine aminotransferase	0.0021	0.0279	0.0637
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0017	0.0128	0.0291
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0017	0.0128	0.0128
Onchocerca volvulus	Bile acid receptor homolog	0.0017	0.0128	0.5
Mycobacterium ulcerans	glutaminase	0.0267	1	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0125	0.4386	1
Mycobacterium leprae	PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD	0.0034	0.0805	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0805	0.08
Mycobacterium ulcerans	succinate-semialdehyde dehydrogenase	0.0034	0.0805	0.054
Echinococcus granulosus	ornithine aminotransferase	0.0021	0.0279	0.0637
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0017	0.0128	0.0128
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0017	0.0128	0.0128
Schistosoma mansoni	retinoic acid receptor RXR	0.0017	0.0128	0.0128
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0017	0.0128	0.0291
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0017	0.0128	0.0128
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.1994	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0125	0.4386	0.4225
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0017	0.0128	0.0128
Echinococcus multilocularis	ecdysone induced protein 78C	0.0017	0.0128	0.0291
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0017	0.0128	0.0291
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0017	0.0128	0.0123
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0017	0.0128	0.0291
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0017	0.0128	0.0128
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase NAD dependent AldA (aldehyde dehydrogenase [NAD+])	0.0034	0.0805	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0123
Brugia malayi	Steroid receptor seven-up type 2	0.0017	0.0128	0.0128
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.1994	0.4545
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.1994	1
Brugia malayi	glutaminase DH11.1	0.0267	1	1
Echinococcus granulosus	succinate semialdehyde dehydrogenase	0.0034	0.0805	0.1834
Mycobacterium ulcerans	NAD-dependent aldehyde dehydrogenase AldA	0.0034	0.0805	0.054
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0017	0.0128	0.0128
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0017	0.0128	0.0128
Schistosoma mansoni	succinate semialdehyde dehydrogenase	0.0034	0.0805	0.0805
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0017	0.0128	0.0291
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0021	0.0279	0.0279
Loa Loa (eye worm)	glutaminase	0.0267	1	1
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0237	0.8808	0.8808
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0125	0.4386	1
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.1994	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0017	0.0128	0.0128
Schistosoma mansoni	coup transcription factor	0.0017	0.0128	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0123
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0017	0.0128	0.0123
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0017	0.0128	0.0123
Schistosoma mansoni	aldehyde dehydrogenase	0.0125	0.4386	0.4386
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.1994	0.1994

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 63 uM	Inhibition of Escherichia coli ATCase	ChEMBL.	17336518

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

No external resources registered for this compound

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 456414