Detailed information for compound 1454138

Basic information

Technical information
  • TDR Targets ID: 1454138
  • Name: (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenz oate
  • MW: 297.137 | Formula: C13H10Cl2N2O2
  • H donors: 0 H acceptors: 3 LogP: 4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(nc(n1)C)OC(=O)c1c(Cl)cccc1Cl
  • InChi: 1S/C13H10Cl2N2O2/c1-7-6-11(17-8(2)16-7)19-13(18)12-9(14)4-3-5-10(12)15/h3-6H,1-2H3
  • InChiKey: OVGLOOWIWKGSPO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,6-dichlorobenzoic acid (2,6-dimethyl-4-pyrimidinyl) ester
  • 2,6-dichlorobenzoic acid (2,6-dimethylpyrimidin-4-yl) ester
  • 4H-376S
  • 2,6-dimethyl-4-pyrimidinyl 2,6-dichlorobenzenecarboxylate
  • MLS000546433
  • SMR000169603
  • ZINC01388261

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni chromatin regulatory protein sir2 0.0033 0.2009 0.1703
Echinococcus granulosus caspase 8 0.0026 0.1295 0.386
Entamoeba histolytica hypothetical protein 0.0043 0.3246 0.1691
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.491 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0369 0.0752
Echinococcus multilocularis lamin dm0 0.0033 0.1999 0.6076
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0369 0.0221
Mycobacterium ulcerans NAD-dependent deacetylase 0.0102 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0369 0.0947
Schistosoma mansoni lamin 0.0033 0.1999 0.1692
Plasmodium falciparum flap endonuclease 1 0.0031 0.1871 0.0662
Plasmodium vivax hypothetical protein, conserved 0.0033 0.2009 0.082
Echinococcus granulosus caspase 0.0026 0.1295 0.386
Schistosoma mansoni chromatin regulatory protein sir2 0.0033 0.2009 0.1703
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.1871 0.0662
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0369 0.0947
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0033 0.2009 0.082
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0033 0.2009 0.082
Onchocerca volvulus 0.0033 0.1999 1
Echinococcus granulosus caspase 2 0.0026 0.1295 0.386
Giardia lamblia Transcriptional regulator, Sir2 family 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.1295 0.2637
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0033 0.2009 0.6108
Plasmodium vivax NAD-dependent deacetylase, putative 0.0102 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.3246 0.2987
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0033 0.2009 0.082
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0033 0.2009 0.017
Brugia malayi Flap endonuclease-1 0.0031 0.1871 0.3455
Toxoplasma gondii histone deacetylase SIR2 0.0102 1 1
Echinococcus multilocularis caspase 2 0.0026 0.1295 0.386
Loa Loa (eye worm) hypothetical protein 0.0033 0.2009 0.4092
Schistosoma mansoni caspase-7 (C14 family) 0.0026 0.1295 0.0961
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0369 0.0947
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1999 0.4071
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0369 0.0221
Loa Loa (eye worm) transcriptional regulator 0.0033 0.2009 0.4092
Schistosoma mansoni chromatin regulatory protein sir2 0.0033 0.2009 0.1703
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0033 0.2009 0.017
Entamoeba histolytica hypothetical protein 0.0043 0.3246 0.1691
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0033 0.2009 0.082
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.491 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0033 0.2009 0.3753
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0033 0.2009 0.017
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0033 0.2009 0.082
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.1871 0.0662
Echinococcus granulosus intermediate filament protein 0.0033 0.1999 0.6076
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0026 0.1295 0.386
Entamoeba histolytica hypothetical protein 0.0043 0.3246 0.1691
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.3246 0.2987
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.3246 1
Echinococcus granulosus chromatin regulatory protein sir2 0.0033 0.2009 0.6108
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1999 0.4071
Loa Loa (eye worm) hypothetical protein 0.0032 0.1931 0.3932
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0102 1 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0033 0.2009 0.017
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0026 0.1295 0.2215
Giardia lamblia Hypothetical protein 0.0033 0.2009 0.017
Schistosoma mansoni chromatin regulatory protein sir2 0.0102 1 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.1871 0.0662
Trypanosoma brucei SIR2-like protein 4, putative 0.0033 0.2009 0.082
Echinococcus multilocularis caspase 8 0.0026 0.1295 0.386
Echinococcus granulosus GPCR family 2 0.0018 0.0369 0.0947
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0033 0.2009 0.082
Schistosoma mansoni caspase-7 (C14 family) 0.0026 0.1295 0.0961
Echinococcus multilocularis caspase 0.0026 0.1295 0.386
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0033 0.2009 0.082
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0026 0.1295 0.386
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0266 0.0543
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0033 0.2009 0.6108
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.3246 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.491 1
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0033 0.2009 0.082
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0033 0.2009 0.082
Leishmania major sir2-family protein-like protein 0.0033 0.2009 0.082
Schistosoma mansoni chromatin regulatory protein sir2 0.0033 0.2009 0.1703
Loa Loa (eye worm) hypothetical protein 0.0018 0.0369 0.0752
Loa Loa (eye worm) hypothetical protein 0.0016 0.0068 0.0139
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.2808 0.5474
Loa Loa (eye worm) hypothetical protein 0.0058 0.491 1
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0102 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0102 1 1
Loa Loa (eye worm) sirtuin 4 0.0033 0.2009 0.4092
Brugia malayi Cell death protein 3 precursor 0.0026 0.1295 0.2215
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0033 0.2009 0.082
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0033 0.2009 0.6108
Echinococcus multilocularis lamin 0.0033 0.1999 0.6076
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.1871 0.0662
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0033 0.2009 0.6108
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0102 1 1
Brugia malayi hypothetical protein 0.0043 0.3246 0.6416
Echinococcus granulosus lamin 0.0033 0.1999 0.6076
Giardia lamblia Sirtuin type 2 0.0033 0.2009 0.017
Leishmania major silent information regulator 2, putative 0.0033 0.2009 0.082
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0033 0.2009 0.6108
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.1871 0.0662
Brugia malayi transcriptional regulator, Sir2 family protein 0.0033 0.2009 0.3753
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0033 0.2009 0.082
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0033 0.2009 0.6108
Mycobacterium leprae Probable NAD-dependent deacetylase NpdA (Regulatory protein SIR2 homolog) 0.007 0.6259 0.5
Toxoplasma gondii histone deacetylase SIR2-like 0.0033 0.2009 0.082
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.1871 0.0662
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0026 0.1295 0.0961
Schistosoma mansoni hypothetical protein 0.004 0.2808 0.2532
Schistosoma mansoni chromatin regulatory protein sir2 0.0033 0.2009 0.1703
Brugia malayi transcriptional regulator, Sir2 family protein 0.0033 0.2009 0.3753
Echinococcus multilocularis chromatin regulatory protein sir2 0.0033 0.2009 0.6108
Echinococcus granulosus flap endonuclease 1 0.0031 0.1871 0.5673
Echinococcus multilocularis flap endonuclease 1 0.0031 0.1871 0.5673
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0033 0.2009 0.6108
Brugia malayi NAD-dependent deacetylase SIRT1 0.0033 0.2009 0.3753
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1999 0.4071
Entamoeba histolytica hypothetical protein, conserved 0.0033 0.2009 0.017
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0102 1 1
Loa Loa (eye worm) transcriptional regulator 0.0033 0.2009 0.4092
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0102 1 1
Schistosoma mansoni caspase-3 (C14 family) 0.0026 0.1295 0.0961
Schistosoma mansoni lamin 0.0033 0.1999 0.1692
Echinococcus multilocularis musashi 0.0033 0.1999 0.6076
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0102 1 1
Loa Loa (eye worm) transcriptional regulator 0.0033 0.2009 0.4092
Echinococcus multilocularis GPCR, family 2 0.0018 0.0369 0.0947
Loa Loa (eye worm) hypothetical protein 0.0026 0.1295 0.2637
Schistosoma mansoni flap endonuclease-1 0.0028 0.1525 0.12
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0033 0.2009 0.6108
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1999 0.3731
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.1871 0.381
Schistosoma mansoni intermediate filament proteins 0.0033 0.1999 0.1692
Loa Loa (eye worm) hypothetical protein 0.004 0.2808 0.5719
Entamoeba histolytica hypothetical protein 0.0043 0.3246 0.1691
Brugia malayi intermediate filament protein 0.0033 0.1999 0.3731
Schistosoma mansoni chromatin regulatory protein sir2 0.0033 0.2009 0.1703
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0033 0.2009 0.082
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0102 1 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0369 0.0947
Echinococcus granulosus lamin dm0 0.0033 0.1999 0.6076
Onchocerca volvulus 0.0033 0.1999 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1835 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) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 5.8048 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) 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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