Detailed information for compound 1215946

Basic information

Technical information
  • TDR Targets ID: 1215946
  • Name: 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylp yrimidine-2,4-dione
  • MW: 295.242 | Formula: C13H11F2N3O3
  • H donors: 1 H acceptors: 3 LogP: 1.23 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)C(=O)c1c(N)n(C)c(=O)n(c1=O)C
  • InChi: 1S/C13H11F2N3O3/c1-17-11(16)9(12(20)18(2)13(17)21)10(19)7-4-3-6(14)5-8(7)15/h3-5H,16H2,1-2H3
  • InChiKey: QOCYCMJIIVBMQY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethyl-pyrimidine-2,4-dione
  • 6-amino-5-[(2,4-difluorophenyl)-oxomethyl]-1,3-dimethylpyrimidine-2,4-dione
  • 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethyl-pyrimidine-2,4-quinone
  • 6-amino-5-(2,4-difluorophenyl)carbonyl-1,3-dimethyl-pyrimidine-2,4-dione
  • MLS000389819
  • SMR000256093
  • T0510-2177
  • ZINC03257430

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
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
Trypanosoma brucei glucosidase, putative 0.0035 0.1204 0.193
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.4522 0.4522
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0733 0.5
Brugia malayi 6-phosphofructokinase 0.0106 0.6237 0.6237
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.1204 0.1204
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0733 0.1175
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.6237 1
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.6237 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 1 1
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0733 0.1175
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0733 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0733 0.2519
Schistosoma mansoni hypothetical protein 0.0033 0.106 0.1258
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2154 0.2154
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.6237 0.7403
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.6237 1
Echinococcus multilocularis jun protein 0.0082 0.4522 0.4522
Brugia malayi hypothetical protein 0.0064 0.3271 0.3271
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0733 0.1175
Loa Loa (eye worm) hypothetical protein 0.0148 0.922 0.922
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.6237 0.6237
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.1204 0.193
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.6237 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0733 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0733 0.1175
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.6237 1
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0733 0.2519
Loa Loa (eye worm) phosphofructokinase 0.0106 0.6237 0.6237
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.106 0.106
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0733 0.5
Mycobacterium ulcerans 6-phosphofructokinase 0.0106 0.6237 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0733 1
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.6237 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.1204 0.193
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.2908 0.4663
Onchocerca volvulus 0.0092 0.5234 0.3299
Schistosoma mansoni hypothetical protein 0.0067 0.343 0.4071
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.1204 0.193
Brugia malayi 6-phosphofructokinase 0.0106 0.6237 0.6237
Brugia malayi phosphofructokinase 0.0106 0.6237 0.6237
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.0033 0.106 0.106
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1204 0.193
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.2908 0.2908
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0733 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.2908 0.3452
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2908 0.4663
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.1204 0.193
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.1204 0.4138
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0733 0.1175
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0733 0.1175
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.6237 0.7403
Loa Loa (eye worm) hypothetical protein 0.0148 0.922 0.922
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 1 1
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.6237 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1204 0.193
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1204 0.193
Brugia malayi hypothetical protein 0.0148 0.922 0.922
Echinococcus granulosus 6 phosphofructokinase 0.0106 0.6237 0.6237
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1204 0.193
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0106 0.6237 1
Leishmania major ATP-dependent phosphofructokinase 0.0106 0.6237 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0733 0.1175
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0733 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.2908 0.3452
Brugia malayi bZIP transcription factor family protein 0.0082 0.4522 0.4522
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0733 0.1175
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0106 0.6237 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Echinococcus granulosus jun protein 0.0082 0.4522 0.4522
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.1204 0.1204
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0733 0.1175
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.2908 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2154 0.2154
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.2908 0.2908
Schistosoma mansoni alpha glucosidase 0.0035 0.1204 0.1428
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.1204 0.193
Schistosoma mansoni alpha-glucosidase 0.0137 0.8426 1
Loa Loa (eye worm) hypothetical protein 0.008 0.4362 0.4362
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 1 1
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.6237 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1204 0.193
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.1204 0.1204
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.2908 0.4663
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2908 0.4663
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1204 0.193
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0733 0.2519
Loa Loa (eye worm) hypothetical protein 0.0049 0.2154 0.2154
Onchocerca volvulus Huntingtin homolog 0.0148 0.922 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.922 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2908 0.4663
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2154 0.2154
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.1204 0.1204
Schistosoma mansoni alpha-glucosidase 0.0137 0.8426 1
Schistosoma mansoni jun-related protein 0.0067 0.343 0.4071
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0106 0.6237 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.6237 1
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.1204 0.193
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.1204 0.193
Echinococcus multilocularis 6 phosphofructokinase 0.0106 0.6237 0.6237
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1204 0.193
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.6237 0.6237

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1413 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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

Bibliographic References

No literature references available for this target.

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