TDR Targets

Basic information

Technical information

TDR Targets ID: 948400
Name: 2-[2-amino-3-[4-(trifluoromethyl)benzoyl]phen yl]acetic acid
MW: 323.267 | Formula: C16H12F3NO3
H donors: 2 H acceptors: 3 LogP: 3.48 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)C(F)(F)F
InChi: 1S/C16H12F3NO3/c17-16(18,19)11-6-4-9(5-7-11)15(23)12-3-1-2-10(14(12)20)8-13(21)22/h1-7H,8,20H2,(H,21,22)
InChiKey: GZJTUKSQNXYFDL-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-[2-amino-3-[oxo-[4-(trifluoromethyl)phenyl]methyl]phenyl]acetic acid
2-[2-amino-3-[4-(trifluoromethyl)phenyl]carbonyl-phenyl]ethanoic acid

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	0.0061	0.0083	0.0425
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0061	0.0083	0.0425
Echinococcus multilocularis	FTZ F1 alpha	0.0061	0.0083	0.0083
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0001	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0061	0.0083	0.0425
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0103	0.0204	0.1044
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0001	0.0001
Schistosoma mansoni	retinoic acid receptor RXR	0.0061	0.0083	0.0096
Onchocerca volvulus	Bile acid receptor homolog	0.0061	0.0083	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0061	0.0083	0.0083
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0061	0.0083	0.0083
Schistosoma mansoni	hypothetical protein	0.0352	0.0917	0.1055
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.068	0.186	0.2141
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0061	0.0083	0.0096
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0131	0.0284	0.1456
Brugia malayi	ecdysteroid receptor	0.0061	0.0083	0.0425
Echinococcus multilocularis	geminin	0.0352	0.0917	0.0917
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0061	0.0083	0.0083
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0061	0.0083	0.0083
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0284	0.0327
Plasmodium falciparum	kinesin-5	0.0457	0.1218	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0061	0.0083	0.0096
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0061	0.0083	0.0425
Brugia malayi	TAR-binding protein	0.0131	0.0284	0.1456
Brugia malayi	Nuclear hormone receptor-like 1	0.0061	0.0083	0.0425
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0061	0.0083	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0083	0.0425
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0061	0.0083	0.0425
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0103	0.0204	0.1044
Loa Loa (eye worm)	RNA binding protein	0.0131	0.0284	0.1456
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0713	0.1953	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0061	0.0083	0.0096
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0061	0.0083	0.0083
Brugia malayi	Steroid receptor seven-up type 2	0.0061	0.0083	0.0425
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0061	0.0083	0.0425
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0061	0.0083	0.0083
Brugia malayi	nuclear hormone receptor	0.0061	0.0083	0.0425
Brugia malayi	RNA binding protein	0.0131	0.0284	0.1456
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0061	0.0083	0.0083
Schistosoma mansoni	hypothetical protein	0.0071	0.011	0.0127
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0061	0.0083	0.0096
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0061	0.0083	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0713	0.1953	0.1953
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0103	0.0204	0.1044
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0061	0.0083	0.0083
Brugia malayi	nuclear receptor NHR-88	0.0061	0.0083	0.0425
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0001	0.0005
Schistosoma mansoni	hypothetical protein	0.0352	0.0917	0.1055
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0284	0.0327
Schistosoma mansoni	hypothetical protein	0.0033	0.0001	0.0001
Schistosoma mansoni	thyroid hormone receptor	0.0061	0.0083	0.0096
Toxoplasma gondii	kinesin motor domain-containing protein	0.0457	0.1218	0.5
Brugia malayi	Kinesin motor domain containing protein	0.0457	0.1218	0.6237
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0061	0.0083	0.0083
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0001	0.0001
Schistosoma mansoni	hypothetical protein	0.0033	0.0001	0.0001
Brugia malayi	steroid hormone receptor	0.0061	0.0083	0.0425
Schistosoma mansoni	hypothetical protein	0.3059	0.8689	1
Plasmodium vivax	kinesin-5	0.0457	0.1218	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0061	0.0083	0.0425
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0713	0.1953	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0061	0.0083	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0204	0.1044
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0061	0.0083	0.0425
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0061	0.0083	0.0425
Schistosoma mansoni	RAR-like nuclear receptor	0.0061	0.0083	0.0096
Echinococcus granulosus	FTZ F1 alpha	0.0061	0.0083	0.0083
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0457	0.1218	0.6237
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0061	0.0083	0.0425
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0284	0.0327
Entamoeba histolytica	kinesin, putative	0.0457	0.1218	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0061	0.0083	0.0096
Schistosoma mansoni	coup transcription factor	0.0061	0.0083	0.0096
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0061	0.0083	0.0425
Brugia malayi	RNA recognition motif domain containing protein	0.0131	0.0284	0.1456
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0083	0.0425
Schistosoma mansoni	hypothetical protein	0.0033	0.0001	0.0001
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0061	0.0083	0.0096
Echinococcus multilocularis	ecdysone induced protein 78C	0.0061	0.0083	0.0083
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0061	0.0083	0.0425
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0061	0.0083	0.0425
Onchocerca volvulus		0.0061	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0001	0.0005
Echinococcus multilocularis	tar DNA binding protein	0.0131	0.0284	0.0284
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0061	0.0083	0.0425
Schistosoma mansoni	hypothetical protein	0.0033	0.0001	0.0001
Echinococcus granulosus	GPCR family 2	0.0033	0.0001	0.0001
Brugia malayi	photoreceptor-specific nuclear receptor	0.0061	0.0083	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0083	0.0425
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0061	0.0083	0.0083
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.011	0.0563
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0284	0.0327
Schistosoma mansoni	nuclear hormone receptor	0.0061	0.0083	0.0096
Echinococcus granulosus	tar DNA binding protein	0.0131	0.0284	0.0284
Loa Loa (eye worm)	TAR-binding protein	0.0131	0.0284	0.1456
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0083	0.0425
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0061	0.0083	0.0425
Echinococcus multilocularis	kinesin family 1	0.3516	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.011	0.0563
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0001	0.0001
Echinococcus granulosus	ecdysone induced protein 78C	0.0061	0.0083	0.0083
Onchocerca volvulus	Protein ultraspiracle homolog	0.0061	0.0083	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0284	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0083	0.0425
Giardia lamblia	Kinesin-5	0.0457	0.1218	0.5
Echinococcus granulosus	geminin	0.0352	0.0917	0.0917
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0001	0.0001
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0061	0.0083	0.0425
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0001	0.0001
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0061	0.0083	0.0083
Loa Loa (eye worm)	steroid hormone receptor	0.0061	0.0083	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0083	0.0425
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0061	0.0083	0.0096
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0061	0.0083	0.0425
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0061	0.0083	0.0083
Schistosoma mansoni	kinesin eg-5	0.0457	0.1218	0.1402
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0083	0.0425
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0001	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0061	0.0083	0.0425
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0713	0.1953	0.1953

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: CHEMBL1204832

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 948400