TDR Targets

Basic information

Technical information

TDR Targets ID: 876825
Name: 1-[5-fluoro-2-[[4-[2-methyl-3-(trifluoromethy l)benzoyl]morpholin-2-yl]methoxy]phenyl]ethan one
MW: 439.4 | Formula: C22H21F4NO4
H donors: 0 H acceptors: 2 LogP: 3.77 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)C(=O)C)OCC1OCCN(C1)C(=O)c1cccc(c1C)C(F)(F)F
InChi: 1S/C22H21F4NO4/c1-13-17(4-3-5-19(13)22(24,25)26)21(29)27-8-9-30-16(11-27)12-31-20-7-6-15(23)10-18(20)14(2)28/h3-7,10,16H,8-9,11-12H2,1-2H3
InChiKey: IUTYAQVOZJBCOY-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

1-[5-fluoro-2-[[4-[[2-methyl-3-(trifluoromethyl)phenyl]-oxomethyl]-2-morpholinyl]methoxy]phenyl]ethanone
1-[5-fluoro-2-[[4-[2-methyl-3-(trifluoromethyl)phenyl]carbonylmorpholin-2-yl]methoxy]phenyl]ethanone

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
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0019	0.0027	0.0027
Brugia malayi	hypothetical protein	0.0018	0.0017	0.0017
Echinococcus granulosus	neuroglian	0.0021	0.01	0.0188
Schistosoma mansoni	vesicular amine transporter	0.003	0.0356	0.0669
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.01	0.01
Echinococcus granulosus	roundabout 2	0.0021	0.01	0.0188
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.01	0.01
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0021	0.01	0.0188
Echinococcus multilocularis	Immunoglobulin	0.003	0.0356	0.0669
Schistosoma mansoni	cell adhesion molecule	0.0021	0.01	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0021	0.01	0.01
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0021	0.01	0.0188
Brugia malayi	hypothetical protein	0.0342	0.969	0.969
Echinococcus multilocularis	neuroglian	0.0041	0.07	0.1315
Loa Loa (eye worm)	hypothetical protein	0.003	0.0356	0.0356
Schistosoma mansoni	nephrin	0.0021	0.01	0.0188
Onchocerca volvulus		0.0306	0.8604	0.8867
Schistosoma mansoni	hypothetical protein	0.0192	0.5199	0.9769
Echinococcus multilocularis	hemicentin 1	0.0021	0.01	0.0188
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.003	0.0356	0.0356
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0352	1	1
Schistosoma mansoni	septate junction protein	0.0021	0.01	0.0188
Echinococcus granulosus	neuroglian	0.0041	0.07	0.1315
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.01	0.01
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.3505	0.3505
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.3505	0.3505
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0001	0.0001
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0196	0.5321	1
Schistosoma mansoni	tyrosine kinase	0.0028	0.0317	0.0595
Schistosoma mansoni	cell adhesion molecule	0.0039	0.0646	0.1214
Loa Loa (eye worm)	hypothetical protein	0.0021	0.01	0.01
Schistosoma mansoni	hypothetical protein	0.0192	0.5199	0.9769
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0021	0.01	0.01
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.003	0.0356	0.0669
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0021	0.01	0.0188
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0683	0.1284
Loa Loa (eye worm)	hypothetical protein	0.003	0.0356	0.0356
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0001	0.0001
Echinococcus granulosus	hemicentin 1	0.0021	0.01	0.0188
Loa Loa (eye worm)	hypothetical protein	0.003	0.0356	0.0356
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.01	0.01
Echinococcus granulosus	lachesin	0.0021	0.01	0.0188
Echinococcus granulosus	roundabout 2	0.0021	0.01	0.0188
Trichomonas vaginalis	AGC family protein kinase	0.0196	0.5321	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.099	0.099
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.01	0.01
Echinococcus multilocularis	Immunoglobulin	0.003	0.0356	0.0669
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0021	0.01	0.0188
Echinococcus multilocularis	lachesin	0.0021	0.01	0.0188
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0236	0.6516	0.6516
Echinococcus granulosus	geminin	0.0192	0.5199	0.9769
Trichomonas vaginalis	AGC family protein kinase	0.0196	0.5321	0.5
Brugia malayi	Peroxidasin	0.0021	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0619	0.0619
Brugia malayi	Fibronectin type III domain containing protein	0.003	0.0356	0.0356
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.003	0.0356	0.0669
Schistosoma mansoni	cell adhesion molecule	0.0021	0.01	0.0188
Loa Loa (eye worm)	TK/ROR protein kinase	0.0019	0.0027	0.0027
Echinococcus multilocularis	hemicentin 1	0.0021	0.01	0.0188
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0319	1
Schistosoma mansoni	roundabout	0.0021	0.01	0.0188
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.01	0.01
Echinococcus multilocularis	neuroglian	0.0021	0.01	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0021	0.01	0.01
Trichomonas vaginalis	AGC family protein kinase	0.0196	0.5321	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.01	0.01
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0619	0.0619
Echinococcus granulosus	tyrosine protein kinase otk	0.0021	0.01	0.0188
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0196	0.5321	1
Brugia malayi	MH2 domain containing protein	0.0135	0.3505	0.3505
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0319	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0021	0.01	0.01
Schistosoma mansoni	serine/threonine protein kinase	0.0196	0.5321	1
Echinococcus granulosus	contactin	0.0021	0.01	0.0188
Echinococcus granulosus	defective proboscis extension response	0.003	0.0356	0.0669
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0683	0.1284
Echinococcus multilocularis	peroxidasin	0.0021	0.01	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0319	0.0319
Echinococcus multilocularis	geminin	0.0192	0.5199	0.9769
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0023	0.0156	0.0156
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0021	0.01	0.0188
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0001	0.0001
Brugia malayi	hypothetical protein	0.0029	0.0319	0.0319
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.1153	0.1153
Echinococcus multilocularis	tyrosine protein kinase otk	0.0021	0.01	0.0188
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0319	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.01	0.01
Loa Loa (eye worm)	cyclin domain-containing protein	0.0236	0.6516	0.6516
Echinococcus multilocularis	roundabout 2	0.0051	0.099	0.186
Loa Loa (eye worm)	hypothetical protein	0.003	0.0356	0.0356
Loa Loa (eye worm)	TK protein kinase	0.0019	0.0027	0.0027
Brugia malayi	Prion-like-	0.0021	0.01	0.01
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0319	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0001	0.0002
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0319	1
Onchocerca volvulus	Tyrosine kinase homolog	0.0324	0.9164	0.9452
Echinococcus granulosus	peroxidasin	0.0021	0.01	0.0188
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0001	0.0002
Brugia malayi	phosphoinositide-dependent protein kinase I	0.0196	0.5321	0.5321
Schistosoma mansoni	hypothetical protein	0.0039	0.0619	0.1164
Loa Loa (eye worm)	hypothetical protein	0.0021	0.01	0.01
Brugia malayi	hypothetical protein	0.0041	0.0683	0.0683
Echinococcus granulosus	twitchin	0.0043	0.0755	0.1419
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0021	0.01	0.01
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0021	0.01	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1153	0.1153
Leishmania major	hypothetical protein, conserved	0.0029	0.0319	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0646	0.0646
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.01	0.01
Schistosoma mansoni	titin	0.0021	0.01	0.0188
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0196	0.5321	0.5321
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0319	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.01	0.01
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0319	1
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.003	0.0356	0.0669
Brugia malayi	hypothetical protein	0.003	0.0356	0.0356
Schistosoma mansoni	cell adhesion molecule	0.0021	0.01	0.0188
Schistosoma mansoni	nephrin	0.0041	0.07	0.1315
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0001	0.0002
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0021	0.01	0.0188
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0019	0.0027	0.005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.1153	0.1153
Echinococcus multilocularis	roundabout 2	0.0021	0.01	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0051	0.099	0.099
Onchocerca volvulus		0.0342	0.969	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0001	0.0002
Schistosoma mansoni	hypothetical protein	0.0041	0.0683	0.1284
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0021	0.01	0.0188
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0039	0.0646	0.1214
Schistosoma mansoni	septate junction protein	0.0021	0.01	0.0188
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0001	0.0002
Schistosoma mansoni	neuroglian	0.0021	0.01	0.0188
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0683	0.1284
Loa Loa (eye worm)	hypothetical protein	0.0342	0.969	0.969
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.003	0.0356	0.0356
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0196	0.5321	0.5321
Brugia malayi	Protein kinase domain containing protein	0.0196	0.5321	0.5321
Echinococcus granulosus	roundabout 2	0.0051	0.099	0.186
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0018	0.0001	0.5
Echinococcus multilocularis	roundabout 2	0.0021	0.01	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0021	0.01	0.01
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0019	0.0027	0.005
Echinococcus granulosus	Immunoglobulin	0.003	0.0356	0.0669
Entamoeba histolytica	protein kinase, putative	0.0196	0.5321	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.1153	0.1153
Loa Loa (eye worm)	hypothetical protein	0.0021	0.01	0.01
Brugia malayi	Immunoglobulin I-set domain containing protein	0.003	0.0356	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0021	0.01	0.01

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 876825