TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 232.191 | Formula: C8H12N2O6
H donors: 3 H acceptors: 5 LogP: -3.88 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)N1C[C@](C[C@@H]1C(=O)O)(N)C(=O)O
InChi: 1S/C8H12N2O6/c1-16-7(15)10-3-8(9,6(13)14)2-4(10)5(11)12/h4H,2-3,9H2,1H3,(H,11,12)(H,13,14)/t4-,8-/m1/s1
InChiKey: XDYWKTDJJWSIHK-SPGJFGJESA-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
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0377	0.1232
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0134	0.2625	0.2625
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0134	0.2625	0.8567
Echinococcus granulosus	nAChR subunit	0.0072	0.0377	0.0377
Echinococcus granulosus	glycine receptor subunit beta	0.0134	0.2625	0.2625
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0377	0.1232
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0134	0.2625	0.8567
Onchocerca volvulus		0.0134	0.2625	0.8567
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0081	0.069	0.2252
Schistosoma mansoni	nAChR subunit	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Schistosoma mansoni	nAChR subunit	0.0134	0.2625	0.2625
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.031	0.9036	0.5
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0081	0.069	1
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.031	0.9036	0.5
Onchocerca volvulus		0.0072	0.0377	0.1232
Onchocerca volvulus		0.0134	0.2625	0.8567
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0072	0.0377	0.1232
Onchocerca volvulus		0.0146	0.3064	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0134	0.2625	0.8567
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0134	0.2625	0.2625
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0134	0.2625	0.8567
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0134	0.2625	0.2625
Schistosoma mansoni	hypothetical protein	0.0337	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0377	0.1232
Echinococcus multilocularis	geminin	0.0337	1	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0377	0.1232
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Echinococcus granulosus	glycine receptor subunit beta	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0377	0.1232
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0377	0.1232
Onchocerca volvulus		0.0134	0.2625	0.8567
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0134	0.2625	0.8567
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	ACC-1 protein	0.0134	0.2625	0.8567
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.031	0.9036	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0134	0.2625	0.2625
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0134	0.2625	0.8567
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0072	0.0377	0.1232
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	LGC-31 protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0134	0.2625	0.8567
Echinococcus multilocularis	glycine receptor subunit beta	0.0134	0.2625	0.2625
Brugia malayi	hypothetical protein	0.0146	0.3064	1
Schistosoma mansoni	nAChR subunit	0.0134	0.2625	0.2625
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0134	0.2625	0.8567
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0134	0.2625	0.2625
Schistosoma mansoni	hypothetical protein	0.0337	1	1
Brugia malayi	Cation transporter family protein	0.0134	0.2625	0.8567
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0134	0.2625	0.8567
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0134	0.2625	0.2625
Schistosoma mansoni	neurotransmitter gated ion channel	0.0072	0.0377	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Echinococcus granulosus	nAChR subunit	0.0134	0.2625	0.2625
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.031	0.9036	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0134	0.2625	0.2625
Schistosoma mansoni	nAChR subunit	0.0134	0.2625	0.2625
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.031	0.9036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0377	0.1232
Schistosoma mansoni	nAChR subunit	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Schistosoma mansoni	nAChR subunit	0.0134	0.2625	0.2625
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0134	0.2625	0.8567
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0134	0.2625	0.2625
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	ACC-1 protein	0.0134	0.2625	0.8567
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.031	0.9036	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0134	0.2625	0.2625
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0072	0.0377	0.1232
Onchocerca volvulus	Putative nachr subunit	0.0134	0.2625	0.8567
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0134	0.2625	0.2625
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0134	0.2625	0.2625
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0072	0.0377	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0134	0.2625	0.2625
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0134	0.2625	0.8567
Brugia malayi	Cation transporter family protein	0.0134	0.2625	0.8567
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0134	0.2625	0.8567
Loa Loa (eye worm)	GABA receptor subunit	0.0072	0.0377	0.1232
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0377	0.1232
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0134	0.2625	0.2625
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0134	0.2625	0.8567
Onchocerca volvulus		0.0134	0.2625	0.8567
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0134	0.2625	0.2625
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0081	0.069	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0146	0.3064	1
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.031	0.9036	0.5
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0134	0.2625	0.8567
Trypanosoma brucei	RNA helicase, putative	0.011	0.1752	0.5
Echinococcus multilocularis	nAChR subunit	0.0072	0.0377	0.0377
Schistosoma mansoni	hypothetical protein	0.011	0.1752	0.1752
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0134	0.2625	0.2625
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0134	0.2625	0.2625
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0377	0.1232
Echinococcus multilocularis	glycine receptor subunit beta	0.0134	0.2625	0.2625
Onchocerca volvulus		0.0134	0.2625	0.8567
Onchocerca volvulus		0.0134	0.2625	0.8567
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0134	0.2625	0.8567
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0134	0.2625	0.8567
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0134	0.2625	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Onchocerca volvulus		0.0072	0.0377	0.1232
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0134	0.2625	0.2625
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0072	0.0377	0.1232
Brugia malayi	Cation transporter family protein	0.0134	0.2625	0.8567
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.031	0.9036	0.5
Echinococcus multilocularis	nAChR subunit	0.0134	0.2625	0.2625
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0134	0.2625	0.2625
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0072	0.0377	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2625	0.8567
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0134	0.2625	0.8567
Brugia malayi	excitatory GABA receptor EXP-1A	0.0134	0.2625	0.8567
Schistosoma mansoni	nAChR subunit	0.0134	0.2625	0.2625
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0134	0.2625	0.8567

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: 459346

Bibliographic References

No literature references available for this target.

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Detailed information for compound 372893