Detailed information for compound 625746

Basic information

Technical information
  • TDR Targets ID: 625746
  • Name: N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4- dimethylbenzamide
  • MW: 287.314 | Formula: C15H17N3O3
  • H donors: 1 H acceptors: 3 LogP: 1.17 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)C)C)Nc1cc(=O)n(c(=O)n1C)C
  • InChi: 1S/C15H17N3O3/c1-9-5-6-11(7-10(9)2)14(20)16-12-8-13(19)18(4)15(21)17(12)3/h5-8H,1-4H3,(H,16,20)
  • InChiKey: VVMUEYJESUZISA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)-3,4-dimethyl-benzamide
  • N-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-3,4-dimethylbenzamide
  • N-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)-3,4-dimethyl-benzamide
  • MLS000103596
  • SMR000018871
  • ZINC02711253

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric 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) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Schistosoma mansoni FFA transport protein 0.0363 0.9672 1
Loa Loa (eye worm) MH2 domain-containing protein 0.037 0.9868 0.9868
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0069 0.5
Brugia malayi MH2 domain containing protein 0.037 0.9868 0.9868
Loa Loa (eye worm) transcription factor SMAD2 0.037 0.9868 0.9868
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.029 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0752 0.0777
Echinococcus multilocularis expressed conserved protein 0.0095 0.2193 0.2267
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0069 0.5
Schistosoma mansoni hypothetical protein 0.0042 0.0708 0.0732
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0069 0.0071
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0069 0.5
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0363 0.9672 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.2408 0.2489
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7513 0.7768
Echinococcus multilocularis protein patched 0.0043 0.0752 0.0777
Echinococcus granulosus Niemann Pick C1 protein 0.0101 0.2364 0.2444
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.029 1
Schistosoma mansoni Smad4 0.0025 0.0243 0.0252
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0375 1 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0243 0.0243
Loa Loa (eye worm) hypothetical protein 0.0027 0.029 0.029
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0375 1 1
Echinococcus granulosus long chain fatty acid transport protein 4 0.0363 0.9672 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0101 0.2364 0.2444
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.029 1
Echinococcus granulosus smad 0.0025 0.0243 0.0252
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1166 0.1166
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0069 0.0069
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0243 0.0252
Schistosoma mansoni hypothetical protein 0.0058 0.1166 0.1206
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0617 0.0638
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0069 0.0291
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0243 0.0252
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0363 0.9672 1
Schistosoma mansoni patched 1 0.0043 0.0752 0.0777
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.029 0.03
Schistosoma mansoni hypothetical protein 0.0042 0.0708 0.0732
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0069 0.0915
Brugia malayi MH2 domain containing protein 0.0025 0.0243 0.0243
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0069 0.0072
Schistosoma mansoni hypothetical protein 0.0042 0.0708 0.0732
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7513 0.7768
Brugia malayi hypothetical protein 0.0027 0.029 0.029
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0617 0.0638
Brugia malayi MH1 domain containing protein 0.0025 0.0243 0.0243
Schistosoma mansoni smad1 5 8 and 0.0025 0.0243 0.0252
Echinococcus multilocularis Smad4 0.0025 0.0243 0.0252
Entamoeba histolytica hypothetical protein 0.0039 0.0617 0.2611
Echinococcus granulosus Niemann Pick C1 protein 0.0145 0.3576 0.3697
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0069 0.2371
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0243 0.0252
Brugia malayi hypothetical protein 0.0017 0.0024 0.0024
Loa Loa (eye worm) Smad1 0.0025 0.0243 0.0243
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.029 0.03
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0069 0.0915
Schistosoma mansoni hypothetical protein 0.0042 0.0708 0.0732
Echinococcus multilocularis smad 0.0025 0.0243 0.0252
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0069 0.0069
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0752 1
Leishmania major fatty acid transporter protein-like protein 0.0358 0.954 1
Brugia malayi hypothetical protein 0.0039 0.0617 0.0617
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0069 0.2371
Brugia malayi CHE-14 protein 0.0043 0.0752 0.0752
Brugia malayi MH2 domain containing protein 0.0025 0.0243 0.0243
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0069 0.0071
Schistosoma mansoni smad1 5 8 and 0.0025 0.0243 0.0252
Onchocerca volvulus 0.0058 0.1166 1
Entamoeba histolytica hypothetical protein 0.0039 0.0617 0.2611
Echinococcus granulosus expressed conserved protein 0.0095 0.2193 0.2267
Brugia malayi Smad1 0.0025 0.0243 0.0243
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0069 0.0071
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0358 0.954 1
Echinococcus granulosus Smad4 0.0025 0.0243 0.0252
Toxoplasma gondii exonuclease III APE 0.0019 0.0069 0.2371
Loa Loa (eye worm) hypothetical protein 0.0053 0.1025 0.1025
Loa Loa (eye worm) hypothetical protein 0.0101 0.2364 0.2364
Schistosoma mansoni smad1 5 8 and 0.0025 0.0243 0.0252
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0069 0.0071
Loa Loa (eye worm) hypothetical protein 0.0286 0.7513 0.7513
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0752 0.0777
Echinococcus multilocularis protein dispatched 1 0.005 0.0923 0.0954
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0752 0.0777
Schistosoma mansoni hypothetical protein 0.0039 0.0617 0.0638
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0243 0.0243
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0069 0.0069
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0363 0.9672 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0243 0.0252
Schistosoma mansoni survival motor neuron protein 0.0058 0.1166 0.1206
Loa Loa (eye worm) hypothetical protein 0.0043 0.0752 0.0752
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.029 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0069 0.0072
Entamoeba histolytica hypothetical protein 0.0039 0.0617 0.2611
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.029 1
Schistosoma mansoni smad 0.0025 0.0243 0.0252
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0243 0.0252
Schistosoma mansoni ap endonuclease 0.0019 0.0069 0.0071
Brugia malayi MH1 domain containing protein 0.0025 0.0243 0.0243
Brugia malayi Niemann-Pick C1 protein precursor 0.0101 0.2364 0.2364
Schistosoma mansoni ap endonuclease 0.0019 0.0069 0.0071
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0358 0.954 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0145 0.3576 0.3697
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0617 0.0638
Entamoeba histolytica hypothetical protein 0.0039 0.0617 0.2611
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0752 0.0752
Leishmania major hypothetical protein, conserved 0.0027 0.029 0.0304
Brugia malayi hypothetical protein 0.0286 0.7513 0.7513
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0101 0.2364 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0069 0.2371

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.

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