TDR Targets

Basic information

Technical information

TDR Targets ID: 1429815
Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-y l]oxyphenyl]acetic acid
MW: 331.674 | Formula: C14H9ClF3NO3
H donors: 1 H acceptors: 3 LogP: 3.69 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)Cc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F
InChi: 1S/C14H9ClF3NO3/c15-11-6-9(14(16,17)18)7-19-13(11)22-10-3-1-8(2-4-10)5-12(20)21/h1-4,6-7H,5H2,(H,20,21)
InChiKey: INPDBCCFUWLATH-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

2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]acetic acid
2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]ethanoic acid
2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetic acid
MLS000755314
SMR000338194
4R-0813

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0018	0.0284	0.0978
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0042	0.1478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.241	0.241
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0018	0.0284	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0042	0.0042
Brugia malayi	RNA binding protein	0.0076	0.241	0.241
Brugia malayi	MH2 domain containing protein	0.0144	0.4867	0.4867
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0284	0.0284
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.1747	0.1747
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.241	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0284	0.0284
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0018	0.0284	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0011	0.0042	0.1478
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0284	0.0978
Giardia lamblia	GTOR	0.0018	0.0284	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0018	0.0284	0.0978
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.241	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Echinococcus granulosus	survival motor neuron protein 1	0.0286	1	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0284	0.1178
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0284	0.0284
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Onchocerca volvulus		0.0058	0.1747	0.5
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0257	0.8977	0.8977
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0018	0.0284	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0011	0.0042	0.1478
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.0284	1
Brugia malayi	TAR-binding protein	0.0076	0.241	0.241
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0284	0.1178
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Schistosoma mansoni	hypothetical protein	0.0058	0.1747	0.7251
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.241	0.241
Trypanosoma cruzi	target of rapamycin kinase 3	0.0018	0.0284	0.0978
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0284	0.0284
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Loa Loa (eye worm)	hypothetical protein	0.0286	1	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0018	0.0284	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.241	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.241	0.241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0284	0.0284
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.4867	0.4867
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.0284	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.241	0.241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.241	1
Trypanosoma cruzi	hypothetical protein, conserved	0.009	0.2901	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0284	0.0284
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.4867	0.4867
Leishmania major	hypothetical protein, conserved	0.0093	0.3026	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.241	0.241
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0042	0.1478
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0284	0.0978
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.241	0.241
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0284	0.0284
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.241	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0284	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0257	0.8977	0.8977
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0284	0.0284
Schistosoma mansoni	survival motor neuron protein	0.0058	0.1747	0.7251

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.6964 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	37.933 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1582579

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1429815