Detailed information for compound 1539280

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

Hover on a compound node to display the structore

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
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
Brugia malayi 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
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 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) 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
Loa Loa (eye worm) RNA 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
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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


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

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

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.