Detailed information for compound 1348347

Basic information

Technical information
  • TDR Targets ID: 1348347
  • Name: N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphen yl)-1,3-thiazol-4-yl]ethyl]oxamide
  • MW: 393.502 | Formula: C22H23N3O2S
  • H donors: 2 H acceptors: 3 LogP: 4.59 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1scc(n1)CCNC(=O)C(=O)Nc1c(C)cccc1C
  • InChi: 1S/C22H23N3O2S/c1-14-7-9-17(10-8-14)22-24-18(13-28-22)11-12-23-20(26)21(27)25-19-15(2)5-4-6-16(19)3/h4-10,13H,11-12H2,1-3H3,(H,23,26)(H,25,27)
  • InChiKey: MSLCPDNTUOHEDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)thiazol-4-yl]ethyl]oxamide
  • N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-4-thiazolyl]ethyl]oxamide
  • N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]ethanediamide
  • G856-3443
  • NCGC00135862-01
  • ZINC04570898

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain 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
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni flap endonuclease-1 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
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia Flap structure-specific endonuclease 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
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva flap endonuclease 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
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense 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
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum flap endonuclease-1, putative 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
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0773 0.1674
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0 0.5
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.1584 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0773 0.1674
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.2475 0.536
Echinococcus multilocularis flap endonuclease 1 0.0031 0.1584 0.3429
Echinococcus granulosus zinc finger protein 0.0024 0.1001 0.2167
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0773 0.1565
Mycobacterium ulcerans bacterioferritin BfrA 0.001 0 0.5
Entamoeba histolytica Flap nuclease, putative 0.0031 0.1584 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.2909 0.2314
Brugia malayi Bromodomain containing protein 0.0091 0.5998 0.5302
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0773 0.1674
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.2475 0.536
Echinococcus multilocularis zinc finger protein 0.0024 0.1001 0.2167
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0773 0.1565
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0773 0.1674
Schistosoma mansoni bromodomain containing protein 0.0076 0.4941 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.1584 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0773 0.1565
Schistosoma mansoni hypothetical protein 0.0025 0.1096 0.2218
Plasmodium falciparum flap endonuclease 1 0.0031 0.1584 0.5
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.1584 1
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.1584 0.5
Mycobacterium ulcerans bacterioferritin BfrB 0.001 0 0.5
Schistosoma mansoni zinc finger protein 0.0018 0.0615 0.1245
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.1268 0.2567
Loa Loa (eye worm) hypothetical protein 0.0052 0.3081 0.2501
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.1268 0.2746
Echinococcus granulosus flap endonuclease 1 0.0031 0.1584 0.3429
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0 0.5
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.1584 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.1096 0.035
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.1584 1
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0828 0.006
Brugia malayi Flap endonuclease-1 0.0031 0.1584 0.012
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.4619 1
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.1584 0.0878
Loa Loa (eye worm) hypothetical protein 0.0046 0.2695 0.2083
Schistosoma mansoni flap endonuclease-1 0.0028 0.1358 0.2748
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0773 0.1565
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.1268 0.2746
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.1584 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0615 0.1245
Loa Loa (eye worm) hypothetical protein 0.0085 0.5612 0.5245
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.4619 1
Brugia malayi Bromodomain containing protein 0.0046 0.2689 0.1417
Treponema pallidum bacterioferrin (TpF1) 0.001 0 0.5
Schistosoma mansoni zinc finger protein 0.0024 0.1001 0.2025

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 4.4668 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) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (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.

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