TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 306.263 | Formula: C12H16F2N2O5
H donors: 2 H acceptors: 3 LogP: 1.08 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(CC)c(nc1=O)OC(F)F
InChi: 1S/C12H16F2N2O5/c1-2-6-4-16(9-3-7(18)8(5-17)20-9)12(19)15-10(6)21-11(13)14/h4,7-9,11,17-18H,2-3,5H2,1H3/t7-,8+,9+/m0/s1
InChiKey: LYLDCDABXXEKEN-DJLDLDEBSA-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	protein jagged 1	0.0074	0.0778	0.1141
Echinococcus granulosus	Tolloid protein 1	0.0056	0.0347	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Mycobacterium tuberculosis	Hypothetical protein	0.0157	0.2738	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Chlamydia trachomatis	dihydrofolate reductase	0.0134	0.2209	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0061	0.0484	0.0709
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0464	1	0.5
Echinococcus multilocularis	fibropellin Ia	0.0074	0.0778	0.1141
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0134	0.2209	0.3237
Echinococcus granulosus	dihydrofolate reductase	0.0134	0.2209	0.3237
Brugia malayi	hypothetical protein	0.0061	0.0484	0.0709
Giardia lamblia	High cysteine protein	0.0074	0.0778	0.5
Onchocerca volvulus		0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.033	0.6823	1
Onchocerca volvulus	Peroxidasin homolog	0.0061	0.0484	0.0709
Onchocerca volvulus	Dual oxidase homolog	0.0061	0.0484	0.0709
Echinococcus multilocularis	laminin	0.0056	0.0347	0.0508
Onchocerca volvulus	Chorion peroxidase homolog	0.0061	0.0484	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Schistosoma mansoni	hypothetical protein	0.0074	0.0778	0.1141
Echinococcus multilocularis	neural cadherin	0.0074	0.0778	0.1141
Echinococcus multilocularis	protein jagged 2	0.0074	0.0778	0.1141
Echinococcus multilocularis	neurogenic locus protein delta	0.0074	0.0778	0.1141
Schistosoma mansoni	hypothetical protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Onchocerca volvulus	Peroxidasin homolog	0.0061	0.0484	0.0709
Brugia malayi	Calcium binding EGF domain containing protein	0.0074	0.0778	0.1141
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0074	0.0778	0.1141
Loa Loa (eye worm)	notch protein	0.0074	0.0778	0.1141
Echinococcus granulosus	delta-like protein 1	0.0074	0.0778	0.1141
Schistosoma mansoni	laminin gamma-3 chain	0.0074	0.0778	0.1141
Brugia malayi	Fibulin-1 precursor	0.0056	0.0347	0.0508
Echinococcus granulosus	neurogenic locus notch protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Onchocerca volvulus		0.0074	0.0778	0.1141
Onchocerca volvulus		0.0074	0.0778	0.1141
Schistosoma mansoni	hypothetical protein	0.0074	0.0778	0.1141
Brugia malayi	Delta serrate ligand family protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Onchocerca volvulus	Slit protein homolog	0.0074	0.0778	0.1141
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0464	1	0.5
Brugia malayi	notch-like transmembrane receptor	0.0074	0.0778	0.1141
Echinococcus multilocularis	neurogenic locus notch protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	Notch2	0.0074	0.0778	0.1141
Echinococcus granulosus	laminin	0.0056	0.0347	0.0508
Brugia malayi	EGF-like domain containing protein	0.0074	0.0778	0.1141
Echinococcus granulosus	peroxidasin	0.0061	0.0484	0.0709
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0464	1	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Brugia malayi	dihydrofolate reductase family protein	0.0134	0.2209	0.3237
Schistosoma mansoni	notch	0.0074	0.0778	0.1141
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0464	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0347	0.0508
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0074	0.0778	0.1141
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.033	0.6823	1
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0464	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Echinococcus granulosus	neurogenic locus protein delta	0.0074	0.0778	0.1141
Schistosoma mansoni	septate junction protein	0.0074	0.0778	0.1141
Mycobacterium ulcerans	thymidylate synthase	0.033	0.6823	1
Brugia malayi	EGF-like domain containing protein	0.0074	0.0778	0.1141
Onchocerca volvulus	Peroxidase homolog	0.0061	0.0484	0.0709
Onchocerca volvulus		0.0213	0.4056	0.5944
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0056	0.0347	0.0508
Echinococcus multilocularis	dihydrofolate reductase	0.0134	0.2209	0.3237
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Schistosoma mansoni	peroxidasin	0.0061	0.0484	0.0709
Schistosoma mansoni	notch	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0347	0.0508
Echinococcus granulosus	protein jagged 1	0.0074	0.0778	0.1141
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0056	0.0347	0.0508
Brugia malayi	Animal haem peroxidase family protein	0.0061	0.0484	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Schistosoma mansoni	hypothetical protein	0.0074	0.0778	0.1141
Brugia malayi	hypothetical protein	0.0157	0.2738	0.4013
Brugia malayi	Calcium binding EGF domain containing protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Brugia malayi	Peroxidasin	0.0061	0.0484	0.0709
Loa Loa (eye worm)	dihydrofolate reductase	0.0134	0.2209	0.3237
Brugia malayi	thymidylate synthase	0.033	0.6823	1
Onchocerca volvulus		0.0061	0.0484	0.0709
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0056	0.0347	0.0508
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0187	0.3446	0.505
Echinococcus granulosus	notch	0.0074	0.0778	0.1141
Brugia malayi	GCC2 and GCC3 family protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Brugia malayi	Animal haem peroxidase family protein	0.0061	0.0484	0.0709
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.033	0.6823	1
Brugia malayi	EGF-like domain containing protein	0.0074	0.0778	0.1141
Schistosoma mansoni	slit	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Brugia malayi	Animal haem peroxidase family protein	0.0061	0.0484	0.0709
Echinococcus granulosus	protein jagged 2	0.0074	0.0778	0.1141
Loa Loa (eye worm)	blistered cuticle protein 3	0.0061	0.0484	0.0709
Schistosoma mansoni	dihydrofolate reductase	0.0134	0.2209	0.3237
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Echinococcus granulosus	fibropellin Ia	0.0074	0.0778	0.1141
Brugia malayi	EGF-like domain containing protein	0.0074	0.0778	0.1141
Echinococcus multilocularis	neurogenic locus protein delta	0.0074	0.0778	0.1141
Schistosoma mansoni	notch	0.0074	0.0778	0.1141
Echinococcus granulosus	neurogenic locus notch protein	0.0074	0.0778	0.1141
Onchocerca volvulus		0.033	0.6823	1
Brugia malayi	Animal haem peroxidase family protein	0.0061	0.0484	0.0709
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0056	0.0347	0.0508
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0074	0.0778	0.1141
Echinococcus granulosus	neural cadherin	0.0074	0.0778	0.1141
Brugia malayi	Calcium binding EGF domain containing protein	0.0056	0.0347	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Echinococcus granulosus	protein jagged 1	0.0074	0.0778	0.1141
Echinococcus multilocularis	peroxidasin	0.0061	0.0484	0.0709
Schistosoma mansoni	notch	0.0074	0.0778	0.1141
Echinococcus granulosus	thymidylate synthase	0.033	0.6823	1
Toxoplasma gondii	EGF family domain-containing protein	0.0074	0.0778	0.0447
Brugia malayi	Dihydrofolate reductase	0.0134	0.2209	0.3237
Schistosoma mansoni	hypothetical protein	0.0074	0.0778	0.1141
Brugia malayi	EGF-like domain containing protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	thymidylate synthase	0.033	0.6823	1
Echinococcus multilocularis	Tolloid protein 1	0.0056	0.0347	0.0508
Schistosoma mansoni	hypothetical protein	0.0074	0.0778	0.1141
Echinococcus multilocularis	neurogenic locus notch protein	0.0074	0.0778	0.1141
Echinococcus granulosus	slit 2 protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Schistosoma mansoni	egf-like domain protein	0.0056	0.0347	0.0508
Onchocerca volvulus		0.0074	0.0778	0.1141
Echinococcus multilocularis	protein jagged 1	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0347	0.0508
Onchocerca volvulus	Arrow homolog	0.0056	0.0347	0.0508
Loa Loa (eye worm)	animal heme peroxidase	0.0061	0.0484	0.0709
Brugia malayi	Cadherin domain containing protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Echinococcus multilocularis	fibrillin 1	0.0056	0.0347	0.0508
Brugia malayi	Animal haem peroxidase family protein	0.0061	0.0484	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Echinococcus multilocularis	slit 2 protein	0.0074	0.0778	0.1141
Brugia malayi	Calcium binding EGF domain containing protein	0.0074	0.0778	0.1141
Onchocerca volvulus		0.0061	0.0484	0.0709
Onchocerca volvulus	Neurogenic locus notch homolog	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Onchocerca volvulus	Putative cubilin	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0347	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Brugia malayi	Muscle positioning protein 4	0.0074	0.0778	0.1141
Brugia malayi	Blistered cuticle protein 3	0.0061	0.0484	0.0709
Trichomonas vaginalis	set domain proteins, putative	0.0213	0.4056	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0056	0.0347	0.0508
Echinococcus granulosus	neurogenic locus notch protein 4	0.0074	0.0778	0.1141
Schistosoma mansoni	notch	0.0074	0.0778	0.1141
Echinococcus multilocularis	thymidylate synthase	0.033	0.6823	1
Brugia malayi	Pre-SET motif family protein	0.0187	0.3446	0.505
Brugia malayi	EGF-like domain containing protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0347	0.0508
Loa Loa (eye worm)	animal heme peroxidase	0.0061	0.0484	0.0709
Onchocerca volvulus	Peroxidase homolog	0.0061	0.0484	0.0709
Schistosoma mansoni	hypothetical protein	0.0074	0.0778	0.1141
Schistosoma mansoni	peroxidasin	0.0061	0.0484	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Schistosoma mansoni	cell polarity protein	0.0074	0.0778	0.1141
Echinococcus multilocularis	notch	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0778	0.1141
Echinococcus granulosus	protein jagged 2	0.0074	0.0778	0.1141
Onchocerca volvulus		0.0074	0.0778	0.1141
Onchocerca volvulus		0.0061	0.0484	0.0709
Loa Loa (eye worm)	animal heme peroxidase	0.0061	0.0484	0.0709
Brugia malayi	Cadherin domain containing protein	0.0074	0.0778	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0484	0.0709
Schistosoma mansoni	notch	0.0074	0.0778	0.1141
Brugia malayi	EGF-like domain containing protein	0.0074	0.0778	0.1141

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: CHEMBL3143079

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 1846457