TDR Targets

Basic information

Technical information

TDR Targets ID: 1718143
Name: 3-(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4- yl)oxyphenol
MW: 326.271 | Formula: C15H13F3N2O3
H donors: 1 H acceptors: 2 LogP: 2.74 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cccc(c1)Oc1c(F)c(nc(c1F)F)N1CCOCC1
InChi: 1S/C15H13F3N2O3/c16-11-13(23-10-3-1-2-9(21)8-10)12(17)15(19-14(11)18)20-4-6-22-7-5-20/h1-3,8,21H,4-7H2
InChiKey: KJNYOLGEPJHSAG-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

3-[(2,3,5-trifluoro-6-morpholino-4-pyridyl)oxy]phenol
3-(2,3,5-trifluoro-6-morpholin-4-yl-pyridin-4-yl)oxyphenol
ZINC00551759
STOCK3S-47482

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Plasmodium falciparum	macrophage migration inhibitory factor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium falciparum	macrophage migration inhibitory factor	Get druggable targets OG5_129767	All targets in OG5_129767
Plasmodium berghei	macrophage migration inhibitory factor	Get druggable targets OG5_129767	All targets in OG5_129767
Loa Loa (eye worm)	macrophage migration inhibitory factor	Get druggable targets OG5_129767	All targets in OG5_129767
Neospora caninum	Macrophage migration inhibitory factor, related	Get druggable targets OG5_129767	All targets in OG5_129767
Leishmania major	macrophage migration inhibitory factor-like protein	Get druggable targets OG5_129767	All targets in OG5_129767
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	Get druggable targets OG5_129767	All targets in OG5_129767
Leishmania donovani	macrophage migration inhibitory factor-like protein	Get druggable targets OG5_129767	All targets in OG5_129767
Leishmania major	macrophage migration inhibitory factor-like protein	Get druggable targets OG5_129767	All targets in OG5_129767
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_129767	All targets in OG5_129767
Brugia malayi	Bm-MIF-1, identical	Get druggable targets OG5_129767	All targets in OG5_129767
Plasmodium knowlesi	macrophage migration inhibitory factor, putative	Get druggable targets OG5_129767	All targets in OG5_129767
Leishmania infantum	macrophage migration inhibitory factor-like protein	Get druggable targets OG5_129767	All targets in OG5_129767
Giardia lamblia	Macrophage migration inhibitory factor	Get druggable targets OG5_129767	All targets in OG5_129767
Plasmodium vivax	macrophage migration inhibitory factor, putative	Get druggable targets OG5_129767	All targets in OG5_129767
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	Get druggable targets OG5_129767	All targets in OG5_129767
Toxoplasma gondii	macrophage migration inhibitory factor, putative	Get druggable targets OG5_129767	All targets in OG5_129767
Leishmania mexicana	macrophage migration inhibitory factor-like protein	Get druggable targets OG5_129767	All targets in OG5_129767
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_129767	All targets in OG5_129767
Leishmania braziliensis	macrophage migration inhibitory factor-like protein	Get druggable targets OG5_129767	All targets in OG5_129767
Leishmania donovani	macrophage migration inhibitory factor-like protein	Get druggable targets OG5_129767	All targets in OG5_129767
Leishmania infantum	macrophage migration inhibitory factor-like protein	Get druggable targets OG5_129767	All targets in OG5_129767
Leishmania mexicana	macrophage migration inhibitory factor-like protein	Get druggable targets OG5_129767	All targets in OG5_129767

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)	O-glycosyl hydrolase family 30 protein	0.028	0.666	1
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.666	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.004	0.044	0.043
Schistosoma mansoni	rab6-interacting	0.0039	0.04	0.1168
Brugia malayi	RNA binding protein	0.0056	0.0843	0.1251
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0205	0.47	0.7056
Brugia malayi	hypothetical protein	0.0039	0.04	0.0585
Loa Loa (eye worm)	RNA binding protein	0.0056	0.0843	0.1265
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0205	0.47	1
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.666	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0206	0.4743	0.7121
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0039	0.0412	0.0401
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.4162	0.6002
Brugia malayi	hypothetical protein	0.0039	0.04	0.0585
Schistosoma mansoni	alpha-glucosidase	0.0152	0.334	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0011	0.0017
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.4162	0.6002
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.666	1
Schistosoma mansoni	loxhd1	0.0039	0.04	0.1168
Trichomonas vaginalis	conserved hypothetical protein	0.0205	0.47	0.6862
Brugia malayi	TAR-binding protein	0.0056	0.0843	0.1251
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0039	0.0412	0.0603
Onchocerca volvulus	Glucosylceramidase homolog	0.0184	0.4162	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.4162	0.6002
Echinococcus granulosus	RUN	0.0039	0.04	0.0389
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.04	0.0389
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0109	0.221	0.2201
Plasmodium falciparum	macrophage migration inhibitory factor	0.0205	0.47	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0177	0.3978	0.5966
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.4162	0.6002
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.004	0.044	0.0645
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0087	0.1658	0.2489
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0177	0.3978	0.3971
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.4162	0.6002
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.04	0.0389
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0177	0.3978	0.3971
Schistosoma mansoni	alpha glucosidase	0.0039	0.0412	0.1204
Echinococcus granulosus	tar DNA binding protein	0.0056	0.0843	0.0832
Brugia malayi	Bm-MIF-1, identical	0.0205	0.47	0.7051
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0056	0.0843	0.1265
Trichomonas vaginalis	glucosylceramidase, putative	0.0194	0.4418	0.6412
Schistosoma mansoni	lipoxygenase	0.0039	0.04	0.1168
Schistosoma mansoni	tar DNA-binding protein	0.0056	0.0843	0.2498
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0412	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.04	0.0601
Onchocerca volvulus		0.0039	0.04	0.0937
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.666	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0409	1	1
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0205	0.47	1
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.028	0.666	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.004	0.044	0.043
Echinococcus multilocularis	tar DNA binding protein	0.0056	0.0843	0.0832
Loa Loa (eye worm)	doublecortin family protein	0.0039	0.04	0.0601
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.004	0.044	0.0661
Trypanosoma brucei	glucosidase, putative	0.0039	0.0412	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0409	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.044	0.1289
Loa Loa (eye worm)	TAR-binding protein	0.0056	0.0843	0.1265
Schistosoma mansoni	tar DNA-binding protein	0.0056	0.0843	0.2498
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.004	0.044	0.043
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0177	0.3978	0.5973
Echinococcus multilocularis	neuropeptide s receptor	0.0409	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0412	0.5
Giardia lamblia	Macrophage migration inhibitory factor	0.0205	0.47	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.044	0.1289
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.666	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0194	0.4418	0.6412
Schistosoma mansoni	rab6-interacting	0.0039	0.04	0.1168
Echinococcus multilocularis	Polycystic kidney disease protein	0.0039	0.04	0.0389
Brugia malayi	follicle stimulating hormone receptor	0.0206	0.4743	0.7116
Schistosoma mansoni	tar DNA-binding protein	0.0056	0.0843	0.2498
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.004	0.044	0.043
Brugia malayi	Doublecortin family protein	0.0039	0.04	0.0585
Schistosoma mansoni	tar DNA-binding protein	0.0056	0.0843	0.2498
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0039	0.0412	0.0619
Brugia malayi	RNA recognition motif domain containing protein	0.0056	0.0843	0.1251
Onchocerca volvulus		0.0039	0.04	0.0937
Echinococcus multilocularis	RUN	0.0039	0.04	0.0389
Echinococcus granulosus	Polycystic kidney disease protein	0.0039	0.04	0.0389
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0205	0.47	0.6862
Echinococcus granulosus	neutral alpha glucosidase AB	0.0039	0.0412	0.0401
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.4162	0.6002
Schistosoma mansoni	hypothetical protein	0.0039	0.04	0.1168
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0109	0.221	0.2201
Leishmania major	macrophage migration inhibitory factor-like protein	0.0205	0.47	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.4162	0.6002
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.044	0.1289
Schistosoma mansoni	alpha-glucosidase	0.0152	0.334	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.04	0.0389
Onchocerca volvulus		0.0102	0.2046	0.4902
Schistosoma mansoni	tar DNA-binding protein	0.0056	0.0843	0.2498
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.04	0.0389
Loa Loa (eye worm)	intermediate filament protein	0.0024	0.0011	0.0017
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0087	0.1658	0.2489
Echinococcus granulosus	lysosomal alpha glucosidase	0.0177	0.3978	0.3971
Schistosoma mansoni	polycystin 1-related	0.0039	0.04	0.1168
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.666	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.04	0.0601
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0024	0.0011	0.0017
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0205	0.47	1
Leishmania major	macrophage migration inhibitory factor-like protein	0.0205	0.47	1
Schistosoma mansoni	lipoxygenase	0.0109	0.221	0.6604

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 8.6 uM	Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate after 10 mins	ChEMBL.	23067344

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: CHEMBL2178826

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 1718143