TDR Targets

Basic information

Technical information

TDR Targets ID: 1539280
Name: 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazo lidine-2,4,5-trione
MW: 272.18 | Formula: C11H7F3N2O3
H donors: 0 H acceptors: 3 LogP: 1.91 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CN1C(=O)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F
InChi: 1S/C11H7F3N2O3/c1-15-8(17)9(18)16(10(15)19)7-4-2-3-6(5-7)11(12,13)14/h2-5H,1H3
InChiKey: RZNPNJQOWMLWAS-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

ZINC03159234
1-methyl-3-[3-(trifluoromethyl)phenyl]-2,4,5-imidazolidinetrione
MLS001180401
SMR000476033
AE-848/36203044

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-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 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
Schistosoma japonicum	TAR DNA-binding protein 43, putative	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
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
Brugia malayi	TAR-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)	TAR-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
Schistosoma mansoni	tar DNA-binding protein	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

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
Mycobacterium leprae	PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE)	0.0152	0.1284	0.1529
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.1148	0.8097
Loa Loa (eye worm)	hypothetical protein	0.0272	0.2641	0.2997
Loa Loa (eye worm)	acyl carrier protein	0.0049	0.0109	0.0124
Brugia malayi	Phosphopantetheine attachment site family protein	0.0049	0.0109	0.0109
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0404	0.4146	0.5255
Echinococcus granulosus	NADH dehydrogenase	0.0049	0.0109	0.0628
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0485	0.5064	0.6451
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.0109	0.5
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0074	0.0398	0.0376
Onchocerca volvulus	Fatty acid synthase homolog	0.0875	0.9489	1
Mycobacterium ulcerans	polyketide synthase Pks13	0.0725	0.7791	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0196	0.1781	0.2177
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0122	0.0936	0.0936
Brugia malayi	AMP-binding enzyme family protein	0.0453	0.4702	0.4702
Loa Loa (eye worm)	phosphopantetheine attachment site family protein	0.0049	0.0109	0.0124
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative	0.0122	0.0936	1
Schistosoma mansoni	hypothetical protein	0.0164	0.1417	1
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0245	0.2338	0.4302
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0515	0.5407	0.6897
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0421	0.2973
Trypanosoma brucei	beta-ketoacyl-ACP synthase	0.0122	0.0936	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0421	0.2864
Mycobacterium leprae	PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4	0.0074	0.0398	0.0376
Mycobacterium ulcerans	polyketide synthase Pks9	0.0321	0.3197	0.402
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0515	0.5407	0.6897
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0276	0.2686	0.3355
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.039	0.3987	0.5049
Trypanosoma cruzi	beta-ketoacyl synthase family protein, putative	0.0122	0.0936	1
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0315	0.3128	0.5769
Echinococcus multilocularis	geminin	0.0164	0.1417	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.007	0.0342	0.2822
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0398	0.0452
Mycobacterium ulcerans	polyketide synthase	0.0485	0.5064	0.6451
Loa Loa (eye worm)	hypothetical protein	0.0815	0.8812	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0485	0.5064	0.6451
Mycobacterium ulcerans	polyketide synthase	0.0515	0.5407	0.6897
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0485	0.5064	0.5064
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks4	0.0074	0.0398	0.0376
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0515	0.5407	0.6897
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0515	0.5407	0.6897
Schistosoma mansoni	methyltransferase-related	0.0146	0.1213	0.8558
Mycobacterium ulcerans	fatty acid synthase Fas	0.0152	0.1284	0.1529
Trichomonas vaginalis	conserved hypothetical protein	0.0146	0.1213	0.7801
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0421	0.2386
Mycobacterium ulcerans	3-oxoacyl-(acyl carrier protein) synthase II	0.0122	0.0936	0.1076
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0485	0.5064	0.6451
Schistosoma mansoni	acyl carrier protein	0.0049	0.0109	0.077
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0122	0.0936	1
Plasmodium vivax	acyl carrier protein, putative	0.0049	0.0109	0.0959
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0485	0.5064	0.6451
Echinococcus multilocularis	3 oxoacyl (acyl carrier protein) synthase	0.0122	0.0936	0.632
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0421	0.0478
Mycobacterium tuberculosis	Probable aminotransferase	0.0176	0.1549	0.1874
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0515	0.5407	0.6897
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0485	0.5064	0.6451
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.047	0.4896	0.6231
Toxoplasma gondii	type I fatty acid synthase	0.0074	0.0398	0.0699
Loa Loa (eye worm)	acetyltransferase	0.014	0.1148	0.1302
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0421	0.2973
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0152	0.1284	0.1529
Schistosoma mansoni	3-oxoacyl-[ACP] synthase	0.0122	0.0936	0.6603
Schistosoma mansoni	hypothetical protein	0.0164	0.1417	1
Brugia malayi	acyl carrier protein, mitochondrial precursor, putative	0.0049	0.0109	0.0109
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.039	0.3987	0.5049
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0167	0.1447	0.1742
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0321	0.3197	0.402
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0207	0.0207
Toxoplasma gondii	3-oxoacyl-acyl-carrier protein synthase I/II, putative	0.0122	0.0936	0.1698
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0421	0.2973
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0725	0.7791	1
Mycobacterium ulcerans	hypothetical protein	0.0176	0.1549	0.1874
Onchocerca volvulus		0.0453	0.4702	0.4897
Mycobacterium ulcerans	thioesterase	0.0404	0.4146	0.5255
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0725	0.7791	1
Brugia malayi	AMP-binding enzyme family protein	0.0149	0.1247	0.1247
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0485	0.5064	0.6451
Loa Loa (eye worm)	acyl carrier protein	0.0223	0.2087	0.2368
Mycobacterium tuberculosis	Probable polyketide synthase Pks17	0.0119	0.0899	0.1028
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0515	0.5407	0.6897
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0349	0.3512	0.443
Giardia lamblia	Methyltransferase like 2	0.0146	0.1213	0.5
Brugia malayi	MH2 domain containing protein	0.0116	0.0866	0.0866
Brugia malayi	TAR-binding protein	0.0076	0.0421	0.0421
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0176	0.1549	0.1874
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.1148	0.7938
Mycobacterium ulcerans	polyketide synthase MbtD	0.0149	0.1247	0.1481
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0515	0.5407	0.6897
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0176	0.1549	1
Leishmania major	hypothetical protein, conserved	0.0146	0.1213	1
Leishmania major	beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative	0.0122	0.0936	0.749
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.1103	0.7747
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0074	0.0398	0.0376
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0207	0.0235
Echinococcus granulosus	geminin	0.0164	0.1417	1
Mycobacterium ulcerans	thioesterase TesA	0.0404	0.4146	0.5255
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0421	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0207	0.0235
Mycobacterium tuberculosis	Polyketide synthetase MbtD (polyketide synthase)	0.0149	0.1247	0.1481
Toxoplasma gondii	acyl carrier protein ACP	0.0049	0.0109	0.0163
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.039	0.3987	0.5049
Loa Loa (eye worm)	fatty acid synthase	0.0479	0.4991	0.5664
Toxoplasma gondii	type I fatty acid synthase, putative	0.0345	0.3476	0.6415
Mycobacterium tuberculosis	Conserved protein	0.0146	0.1213	0.1437
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0207	0.0207
Toxoplasma gondii	type I fatty acid synthase, putative	0.0515	0.5407	1
Plasmodium falciparum	3-oxoacyl-acyl-carrier protein synthase I/II	0.0122	0.0936	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0398	0.0452
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0176	0.1549	0.1874
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0397	0.406	0.5143
Chlamydia trachomatis	3-oxoacyl-ACP synthase	0.0122	0.0936	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0866	0.0983
Schistosoma mansoni	hypothetical protein	0.0049	0.0109	0.077
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0485	0.5064	0.6451
Echinococcus granulosus	acyl carrier protein mitochondrial	0.0049	0.0109	0.0628
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0866	0.0983
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0453	0.4702	0.598
Echinococcus granulosus	AMP dependent ligase	0.0049	0.0109	0.0628
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0176	0.1549	0.1874
Mycobacterium ulcerans	polyketide synthase MbtC	0.0122	0.0936	0.1076
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.047	0.4896	0.6231
Treponema pallidum	acyl carrier protein	0.0049	0.0109	0.5
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks3	0.0074	0.0398	0.0376
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.1148	0.1148
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0049	0.0109	0.0109
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0485	0.5064	0.6451
Trypanosoma cruzi	beta-ketoacyl synthase family protein, putative	0.0122	0.0936	1
Mycobacterium leprae	Polyketide synthase Pks13	0.0725	0.7791	1
Mycobacterium tuberculosis	Hypothetical protein	0.0146	0.1213	0.1437
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0421	0.2973
Echinococcus granulosus	3 oxoacyl acyl carrier protein synthase	0.0122	0.0936	0.6551
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0421	0.0421
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0421	0.2973
Mycobacterium ulcerans	3-oxoacyl-(acyl carrier protein) synthase II	0.0122	0.0936	0.1076
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.0109	0.5
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0453	0.4702	0.5336
Loa Loa (eye worm)	beta-ketoacyl synthase domain-containing protein	0.0122	0.0936	0.1062
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0404	0.4146	0.5255
Brugia malayi	Methyltransferase-like protein 4	0.0146	0.1213	0.1213
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0485	0.5064	0.6451
Onchocerca volvulus		0.0845	0.9146	0.9635
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0515	0.5407	0.6897
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0421	0.0478
Brugia malayi	RNA binding protein	0.0076	0.0421	0.0421
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0321	0.3197	0.402
Plasmodium vivax	hypothetical protein, conserved	0.007	0.0342	0.351

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.15 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	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: CHEMBL1888579

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 1539280