TDR Targets

Basic information

Technical information

TDR Targets ID: 681299
Name: 4-fluoro-N-[2-[2-(3-methylphenyl)-[1,3]thiazo lo[2,3-e][1,2,4]triazol-6-yl]ethyl]-3-(triflu oromethyl)benzenesulfonamide
MW: 484.49 | Formula: C20H16F4N4O2S2
H donors: 1 H acceptors: 4 LogP: 4.82 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)c1nn2c(n1)scc2CCNS(=O)(=O)c1ccc(c(c1)C(F)(F)F)F
InChi: 1S/C20H16F4N4O2S2/c1-12-3-2-4-13(9-12)18-26-19-28(27-18)14(11-31-19)7-8-25-32(29,30)15-5-6-17(21)16(10-15)20(22,23)24/h2-6,9-11,25H,7-8H2,1H3
InChiKey: AOJWDPXXBZERDG-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

4-fluoro-N-[2-[2-(3-methylphenyl)thiazolo[2,3-e][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
4-fluoro-N-[2-[2-(3-methylphenyl)-6-thiazolo[2,3-e][1,2,4]triazolyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
G856-5068
NCGC00136271-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	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)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504

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
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0182	0.0104
Plasmodium vivax	SET domain protein, putative	0.003	0.0079	0.1228
Onchocerca volvulus		0.0076	0.0645	0.2231
Echinococcus multilocularis	tumor protein p63	0.0727	0.8683	0.8673
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0182	0.0534
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0076	0.0645	0.1139
Leishmania major	hypothetical protein, conserved	0.0076	0.0645	0.189
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0201	0.0336
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0182	0.0104
Mycobacterium tuberculosis	Probable esterase LipL	0.0076	0.0645	0.1139
Echinococcus granulosus	dna polymerase eta	0.0044	0.0262	0.0198
Schistosoma mansoni	tar DNA-binding protein	0.0266	0.2998	0.2942
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.1465	0.4291
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.0645	0.1648
Loa Loa (eye worm)	hypothetical protein	0.0322	0.369	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.03	0.3415	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.0182	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0645	0.0571
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0076	0.0645	0.1568
Onchocerca volvulus		0.0106	0.1026	0.3732
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.0262	0.0768
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.03	0.3415	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0266	0.2998	0.8084
Loa Loa (eye worm)	MH2 domain-containing protein	0.0255	0.2864	0.7714
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0645	0.1902
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0099	0.1534
Schistosoma mansoni	tar DNA-binding protein	0.0266	0.2998	0.2942
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0	0.5
Toxoplasma gondii	hypothetical protein	0.0048	0.031	0.481
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0426	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0262	0.0507
Trichomonas vaginalis	esterase, putative	0.0076	0.0645	0.1902
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0076	0.0645	0.388
Mycobacterium leprae	conserved hypothetical protein	0.0076	0.0645	1
Brugia malayi	RNA recognition motif domain containing protein	0.0266	0.2998	0.8084
Schistosoma mansoni	DNA polymerase eta	0.0044	0.0262	0.0184
Brugia malayi	beta-lactamase	0.0076	0.0645	0.1568
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0234	0.0407
Plasmodium vivax	hypothetical protein, conserved	0.0076	0.0645	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0034	0.0133	0.2066
Schistosoma mansoni	tar DNA-binding protein	0.0266	0.2998	0.2942
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0645	0.1139
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0645	0.0571
Echinococcus multilocularis	muscleblind protein	0.0322	0.369	0.3639
Loa Loa (eye worm)	TAR-binding protein	0.0266	0.2998	0.8084
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0645	0.1568
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0234	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0645	0.1568
Brugia malayi	beta-lactamase family protein	0.0076	0.0645	0.1568
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.2617	1
Brugia malayi	Inositol-1	0.0038	0.0182	0.0286
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0083	0.0732	0.1809
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0645	0.1568
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0645	0.1902
Brugia malayi	beta-lactamase family protein	0.0076	0.0645	0.1568
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.03	0.3415	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0201	0.0336
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0182	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0732	0.1809
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0482	0.5668	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0234	0.0407
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.0645	0.1648
Loa Loa (eye worm)	transcription factor SMAD2	0.0255	0.2864	0.7714
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0645	0.1139
Leishmania major	DNA polymerase eta, putative	0.0031	0.0099	0.029
Mycobacterium ulcerans	lipase LipD	0.0076	0.0645	0.388
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.2264	0.6052
Mycobacterium tuberculosis	Probable lipase LipE	0.0076	0.0645	0.1139
Loa Loa (eye worm)	hypothetical protein	0.0322	0.369	1
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0	0.5
Onchocerca volvulus		0.0083	0.0732	0.2574
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0142	0.1465	0.4291
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0182	0.0104
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0645	0.1139
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1026	0.2623
Leishmania major	DNA polymerase eta, putative	0.0044	0.0262	0.0768
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0079	0.1228
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0076	0.0645	0.1139
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.0262	0.0507
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0182	0.0117
Brugia malayi	Pre-SET motif family protein	0.0207	0.2264	0.6052
Schistosoma mansoni	hypothetical protein	0.0039	0.0201	0.0122
Echinococcus granulosus	tar DNA binding protein	0.0266	0.2998	0.2952
Brugia malayi	RNA binding protein	0.0266	0.2998	0.8084
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0348	0.075
Trypanosoma brucei	hypothetical protein, conserved	0.0076	0.0645	0.189
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0645	0.1902
Mycobacterium leprae	Probable lipase LipE	0.0076	0.0645	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0079	0.0014
Schistosoma mansoni	tar DNA-binding protein	0.0266	0.2998	0.2942
Echinococcus multilocularis	dna polymerase eta	0.0044	0.0262	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0645	0.1568
Brugia malayi	TAR-binding protein	0.0266	0.2998	0.8084
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0645	0.1568
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0182	0.0534
Brugia malayi	MH2 domain containing protein	0.0255	0.2864	0.7714
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.1465	0.412
Brugia malayi	Muscleblind-like protein	0.0322	0.369	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0076	0.0645	0.1139
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.0182	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0645	0.1902
Mycobacterium tuberculosis	Probable lipase LipD	0.0076	0.0645	0.1139
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0158	0.1663	0.2934
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.0182	0.2828
Loa Loa (eye worm)	RNA binding protein	0.0266	0.2998	0.8084
Onchocerca volvulus		0.0235	0.2617	1
Loa Loa (eye worm)	beta-lactamase	0.0076	0.0645	0.1568
Mycobacterium ulcerans	hypothetical protein	0.0076	0.0645	0.388
Mycobacterium tuberculosis	Probable hydrolase	0.0076	0.0645	0.1139
Echinococcus granulosus	tumor protein p63	0.0727	0.8683	0.8674
Echinococcus multilocularis	muscleblind protein 1	0.0322	0.369	0.3639
Echinococcus granulosus	L aminoadipate semialdehyde	0.0083	0.0732	0.0671
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0083	0.0732	0.0658
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0076	0.0645	0.0571
Echinococcus granulosus	muscleblind protein	0.0322	0.369	0.3648
Mycobacterium ulcerans	hypothetical protein	0.0158	0.1663	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0182	0.0252
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0426	0.0961
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0076	0.0645	0.388
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0645	0.1902
Schistosoma mansoni	tar DNA-binding protein	0.0266	0.2998	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0426	0.0961
Mycobacterium ulcerans	beta-lactamase	0.0076	0.0645	0.388
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0426	0.0961
Onchocerca volvulus		0.0076	0.0645	0.2231
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0034	0.0133	0.0235
Schistosoma mansoni	cellular tumor antigen P53	0.0106	0.1026	0.0955
Toxoplasma gondii	ABC1 family protein	0.0076	0.0645	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.0182	0.1097
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0083	0.0732	0.0658
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0076	0.0645	0.1568
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0645	0.1568
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.0262	0.0492
Echinococcus multilocularis	tar DNA binding protein	0.0266	0.2998	0.2942
Loa Loa (eye worm)	inositol-1	0.0038	0.0182	0.0286
Echinococcus granulosus	beta LACTamase domain containing family member	0.0076	0.0645	0.0583
Leishmania major	mitochondrial DNA polymerase beta	0.03	0.3415	1
Onchocerca volvulus		0.0076	0.0645	0.2231
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0234	0.0407
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	19.9526 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)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1317638
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 681299