TDR Targets

Basic information

Technical information

TDR Targets ID: 684915
Name: N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]eth yl]-2-(trifluoromethyl)benzamide
MW: 394.386 | Formula: C19H14F4N2OS
H donors: 1 H acceptors: 2 LogP: 4.87 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)c1scc(n1)CCNC(=O)c1ccccc1C(F)(F)F
InChi: 1S/C19H14F4N2OS/c20-13-5-3-4-12(10-13)18-25-14(11-27-18)8-9-24-17(26)15-6-1-2-7-16(15)19(21,22)23/h1-7,10-11H,8-9H2,(H,24,26)
InChiKey: UMQLWMNZAVENQO-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

N-[2-[2-(3-fluorophenyl)thiazol-4-yl]ethyl]-2-(trifluoromethyl)benzamide
N-[2-[2-(3-fluorophenyl)-4-thiazolyl]ethyl]-2-(trifluoromethyl)benzamide
G571-0133
NCGC00132068-01
ZINC05137462

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	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)	TAR-binding protein	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
Echinococcus multilocularis	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 japonicum	TAR DNA-binding protein 43, putative	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)	RNA 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
Schistosoma mansoni	tar DNA-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
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
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
Schistosoma mansoni	tar DNA-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
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0368	0.1105
Brugia malayi	Bromodomain containing protein	0.0041	0.0119	0.0491
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0368	0.1766
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.032	0.2084	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0176	0.0843
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.1444	1	1
Brugia malayi	6-phosphofructokinase	0.0117	0.0652	0.307
Schistosoma mansoni	hypothetical protein	0.0312	0.2024	0.9716
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0101	0.0304
Echinococcus multilocularis	neuropeptide receptor A26	0.0497	0.333	1
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0158	0.0943	0.4193
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0365	0.125
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0176	0.0763
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0158	0.0943	0.4385
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0368	0.1267
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0368	0.1267
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.032	0.2084	1
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.019	0.0914
Trichomonas vaginalis	phosphofructokinase, putative	0.0117	0.0652	0.2955
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0108	0.0592	0.2657
Loa Loa (eye worm)	hypothetical protein	0.006	0.0253	0.0683
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.1444	1	0.5
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.032	0.2084	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0368	0.1695
Loa Loa (eye worm)	6-phosphofructokinase	0.0117	0.0652	0.2713
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0101	0.0304
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.032	0.2084	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0253	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0041	0.012	0.0003
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0368	0.1766
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0368	0.1766
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0051	0.019	0.0914
Echinococcus granulosus	6 phosphofructokinase	0.0117	0.0652	0.1959
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.032	0.2084	1
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.032	0.2084	0.6257
Loa Loa (eye worm)	phosphofructokinase	0.0117	0.0652	0.2713
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0253	0.1139
Echinococcus granulosus	SAM and MBT domain containing protein	0.0051	0.019	0.0572
Brugia malayi	mbt repeat family protein	0.0051	0.019	0.0835
Schistosoma mansoni	6-phosphofructokinase	0.0117	0.0652	0.313
Brugia malayi	RNA binding protein	0.0076	0.0368	0.1695
Trichomonas vaginalis	phosphofructokinase, putative	0.0117	0.0652	0.2955
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.032	0.2084	1
Loa Loa (eye worm)	hypothetical protein	0.032	0.2084	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0176	0.0527
Echinococcus multilocularis	neuropeptide s receptor	0.0497	0.333	1
Schistosoma mansoni	phenylalanyl-tRNA synthetase mitochondrial	0.0158	0.0943	0.4525
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.032	0.2084	1
Brugia malayi	Bromodomain containing protein	0.0081	0.0397	0.1836
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0119	0.049
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.032	0.2084	1
Onchocerca volvulus		0.0051	0.019	0.5
Schistosoma mansoni	6-phosphofructokinase	0.0117	0.0652	0.313
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.1444	1	1
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0117	0.0652	0.2955
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0368	0.1766
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0051	0.019	0.0572
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0176	0.0527
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0158	0.0943	0.4385
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.0281	0.0845
Loa Loa (eye worm)	mbt repeat family protein	0.0051	0.019	0.0363
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0176	0.0527
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0138	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0058	0.024	0.0617
Echinococcus granulosus	histone acetyltransferase MYST2	0.0058	0.024	0.0722
Entamoeba histolytica	phosphofructokinase, putative	0.0117	0.0652	0.2955
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0158	0.0943	0.4385
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0176	0.0843
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0202	0.1252	0.3761
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.032	0.2084	0.6257
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0202	0.1252	0.3761
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0058	0.024	0.1077
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0176	0.0288
Brugia malayi	6-phosphofructokinase	0.0117	0.0652	0.307
Schistosoma mansoni	bromodomain containing protein	0.0068	0.0308	0.148
Loa Loa (eye worm)	MBCTL1	0.0058	0.024	0.0617
Entamoeba histolytica	phosphofructokinase, putative	0.0117	0.0652	0.2955
Entamoeba histolytica	phosphofructokinase, putative	0.0117	0.0652	0.2955
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0368	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0051	0.019	0.0363
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0058	0.024	0.0722
Trichomonas vaginalis	phosphofructokinase, putative	0.0117	0.0652	0.2955
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0058	0.024	0.1154
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0176	0.0527
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.032	0.2084	1
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0158	0.0943	0.2831
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0368	0.1766
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0108	0.0592	0.2657
Brugia malayi	mbt repeat family protein	0.0051	0.019	0.0835
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0051	0.019	0.5
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.019	0.0914
Echinococcus granulosus	neuropeptide s receptor	0.0497	0.333	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0176	0.0843
Schistosoma mansoni	hypothetical protein	0.0041	0.0119	0.0572
Brugia malayi	phosphofructokinase	0.0117	0.0652	0.307
Echinococcus granulosus	neuropeptide receptor A26	0.0497	0.333	1
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.032	0.2084	1
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.032	0.2084	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0253	0.1139
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0058	0.024	0.0722
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0212	0.1321	1
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0108	0.0592	0.2839
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0108	0.0592	0.2657
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.032	0.2084	1
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0058	0.024	0.0722
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0158	0.0943	0.4477
Loa Loa (eye worm)	6-phosphofructokinase	0.0117	0.0652	0.2713
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0152	0.0168
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.0281	0.0845
Echinococcus granulosus	polycomb protein SCMH1	0.0051	0.019	0.0572
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0368	0.1105
Trichomonas vaginalis	phosphofructokinase, putative	0.0117	0.0652	0.2955
Echinococcus multilocularis	polycomb protein SCMH1	0.0051	0.019	0.0572
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0158	0.0943	0.2831
Echinococcus multilocularis	6 phosphofructokinase	0.0117	0.0652	0.1959
Brugia malayi	TAR-binding protein	0.0076	0.0368	0.1695
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0127	0.072	0.3292

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 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

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: CHEMBL1890057
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 684915