TDR Targets

Basic information

Technical information

TDR Targets ID: 878040
Name: methyl 4-[[2-methyl-7-(trifluoromethyl)quinol in-4-yl]amino]benzoate
MW: 360.33 | Formula: C19H15F3N2O2
H donors: 1 H acceptors: 2 LogP: 4.87 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1)Nc1cc(C)nc2c1ccc(c2)C(F)(F)F
InChi: 1S/C19H15F3N2O2/c1-11-9-16(24-14-6-3-12(4-7-14)18(25)26-2)15-8-5-13(19(20,21)22)10-17(15)23-11/h3-10H,1-2H3,(H,23,24)
InChiKey: QYZQOIDPJSOUKW-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

methyl 4-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]benzoate
4-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid methyl ester
A4374/0186748

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)	transport to inner mitochondrial membrane family member	0.0054	0.025	0.0529
Echinococcus multilocularis	muscleblind protein 1	0.0342	0.2092	0.2089
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Echinococcus granulosus	muscleblind protein	0.0342	0.2092	0.2089
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0362	0.0338
Brugia malayi	Mitochondrial import inner membrane translocase subunit TIM10	0.0054	0.025	0.05
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.0362	0.0738
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0247	0.0224
Echinococcus granulosus	chromobox protein 1	0.0078	0.0407	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0342	0.2092	0.4432
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0247	0.0244
Brugia malayi	Animal haem peroxidase family protein	0.0752	0.472	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0104	0.022
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0247	0.0524
Echinococcus granulosus	geminin	0.0197	0.1168	0.1165
Onchocerca volvulus		0.0034	0.0127	0.0042
Schistosoma mansoni	mitochondrial import inner membrane translocase subunit tim10	0.0054	0.025	0.0226
Echinococcus multilocularis	chromobox protein 1	0.0078	0.0407	0.0404
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0209	0.0219
Echinococcus granulosus	lamin	0.0031	0.0108	0.0104
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.0209	0.3419
Echinococcus granulosus	tar DNA binding protein	0.0071	0.0362	0.0358
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0024	0.0051
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.0209	0.3419
Echinococcus granulosus	expressed protein	0.0054	0.025	0.0246
Loa Loa (eye worm)	heterochromatin protein 1	0.0078	0.0407	0.0863
Loa Loa (eye worm)	transcription factor SMAD2	0.0134	0.0764	0.1619
Brugia malayi	RNA binding protein	0.0071	0.0362	0.0738
Onchocerca volvulus		0.0752	0.472	1
Echinococcus multilocularis	lamin dm0	0.0031	0.0108	0.0104
Brugia malayi	Animal haem peroxidase family protein	0.0752	0.472	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0247	0.0244
Schistosoma mansoni	microtubule-associated protein tau	0.1578	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.0407	1
Echinococcus multilocularis	expressed protein	0.0054	0.025	0.0246
Echinococcus multilocularis	geminin	0.0197	0.1168	0.1165
Loa Loa (eye worm)	MH2 domain-containing protein	0.0134	0.0764	0.1619
Onchocerca volvulus		0.0752	0.472	1
Loa Loa (eye worm)	animal heme peroxidase	0.0752	0.472	1
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0278	0.056
Toxoplasma gondii	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0054	0.025	0.5
Brugia malayi	TAR-binding protein	0.0071	0.0362	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0342	0.2092	0.4432
Echinococcus granulosus	GPCR family 2	0.0018	0.0024	0.0021
Echinococcus granulosus	peroxidasin	0.0752	0.472	0.4718
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0247	0.0495
Schistosoma mansoni	hypothetical protein	0.0197	0.1168	0.1147
Echinococcus multilocularis	muscleblind protein	0.0342	0.2092	0.2089
Schistosoma mansoni	lamin	0.0031	0.0108	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0362	0.0338
Brugia malayi	Heterochromatin protein 1	0.0078	0.0407	0.0835
Loa Loa (eye worm)	animal heme peroxidase	0.0752	0.472	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0752	0.472	1
Loa Loa (eye worm)	RNA binding protein	0.0071	0.0362	0.0767
Brugia malayi	chromobox protein homolog 3	0.0044	0.0187	0.0368
Echinococcus multilocularis	lamin	0.0031	0.0108	0.0104
Toxoplasma gondii	TIM10 family protein, putative	0.0054	0.025	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0752	0.472	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0024	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Schistosoma mansoni	lamin	0.0031	0.0108	0.0084
Brugia malayi	Animal haem peroxidase family protein	0.0752	0.472	1
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0054	0.025	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.0362	0.0767
Onchocerca volvulus	Peroxidase homolog	0.0752	0.472	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0247	0.0224
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0024	0.0021
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0024	0.0021
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0024	0.0021
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0362	0.0338
Echinococcus multilocularis	chromobox protein 1	0.0078	0.0407	0.0404
Schistosoma mansoni	chromobox protein	0.0078	0.0407	0.0384
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.016	0.0311
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0108	0.0228
Onchocerca volvulus		0.0752	0.472	1
Brugia malayi	Animal haem peroxidase family protein	0.0752	0.472	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0024	0.0021
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.0187	0.0173
Echinococcus multilocularis	musashi	0.0031	0.0108	0.0104
Schistosoma mansoni	peroxidasin	0.0752	0.472	0.4707
Brugia malayi	intermediate filament protein	0.0031	0.0108	0.0198
Echinococcus multilocularis	microtubule associated protein 2	0.1578	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0108	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0024	0.0021
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0108	0.0084
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0187	0.2714
Brugia malayi	Muscleblind-like protein	0.0342	0.2092	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0127	0.0268
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0014	0.003
Loa Loa (eye worm)	animal heme peroxidase	0.0752	0.472	1
Brugia malayi	MH2 domain containing protein	0.0134	0.0764	0.1594
Schistosoma mansoni	hypothetical protein	0.0197	0.1168	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0004	0.0008
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0054	0.025	0.5
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0362	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Onchocerca volvulus	Peroxidase homolog	0.0752	0.472	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0752	0.472	1
Brugia malayi	Animal haem peroxidase family protein	0.0752	0.472	1
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.0362	0.0358
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0187	0.2714
Brugia malayi	hypothetical protein	0.0752	0.472	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0247	0.0244
Schistosoma mansoni	hypothetical protein	0.004	0.016	0.0137
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0247	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0278	0.0589
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0278	0.0589
Echinococcus granulosus	chromobox protein 1	0.0078	0.0407	0.0404
Schistosoma mansoni	chromobox protein	0.0078	0.0407	0.0384
Echinococcus granulosus	lamin dm0	0.0031	0.0108	0.0104
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0108	0.0198
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0108	0.0228
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0024	0.0021
Brugia malayi	Blistered cuticle protein 3	0.0752	0.472	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.016	0.034
Echinococcus granulosus	intermediate filament protein	0.0031	0.0108	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Echinococcus multilocularis	peroxidasin	0.0752	0.472	0.4718
Onchocerca volvulus	Peroxidasin homolog	0.0752	0.472	1
Onchocerca volvulus	Peroxidasin homolog	0.0752	0.472	1
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Onchocerca volvulus	Dual oxidase homolog	0.0752	0.472	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0278	0.056
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.0407	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0397
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0247	0.0244
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0024	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0752	0.472	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0362	0.0338
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.0362	0.0767
Brugia malayi	Peroxidasin	0.0752	0.472	1
Schistosoma mansoni	peroxidasin	0.0752	0.472	0.4707

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 878040