Detailed information for compound 898249

Basic information

Technical information
  • TDR Targets ID: 898249
  • Name: 4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl) benzenesulfonamide
  • MW: 355.411 | Formula: C18H17N3O3S
  • H donors: 1 H acceptors: 3 LogP: 1.59 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(=O)c(c(n1c1ccc(cc1)S(=O)(=O)N)C)c1ccccc1
  • InChi: 1S/C18H17N3O3S/c1-12-17(14-6-4-3-5-7-14)18(22)20-13(2)21(12)15-8-10-16(11-9-15)25(19,23)24/h3-11H,1-2H3,(H2,19,23,24)
  • InChiKey: WNULOJOYDDKSGK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(2,6-dimethyl-4-oxo-5-phenyl-pyrimidin-1-yl)benzenesulfonamide
  • 4-(2,6-dimethyl-4-oxo-5-phenyl-1-pyrimidinyl)benzenesulfonamide
  • 4-(4-keto-2,6-dimethyl-5-phenyl-pyrimidin-1-yl)benzenesulfonamide
  • MLS000030410
  • SMR000037068
  • EU-0070944
  • STK002366

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 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
Loa Loa (eye worm) hypothetical 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
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0084 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.2583 0.3096
Schistosoma mansoni cpg binding protein 0.0039 0.3726 0.4466
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.042 0.0323
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0084 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0084 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.042 0.0323
Schistosoma mansoni zinc finger protein 0.0018 0.1327 0.159
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.7837 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0084 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.2081 0.2271
Schistosoma mansoni cpg binding protein 0.0039 0.3726 0.4466
Loa Loa (eye worm) hypothetical protein 0.0021 0.1664 0.1816
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0084 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0084 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.1664 0.1946
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.1575 0.1888
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.1662 0.1813
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.2583 0.3145
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.7837 1
Schistosoma mansoni cpg binding protein 0.0035 0.3224 0.3865
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.4924 0.5373
Loa Loa (eye worm) hypothetical protein 0.0046 0.4589 0.5008
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0172 0.0207
Onchocerca volvulus 0.0035 0.3224 0.5
Trypanosoma cruzi ISWI complex protein 0.0018 0.1327 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.1664 0.1946
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.4244 0.5313
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.1664 0.1994
Loa Loa (eye worm) histone methyltransferase 0.0011 0.042 0.0458
Trichomonas vaginalis helicase, putative 0.0008 0.0084 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0084 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0084 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.4244 0.5313
Trypanosoma brucei ISWI complex protein 0.0018 0.1327 0.5
Echinococcus multilocularis cpg binding protein 0.0039 0.3726 0.4637
Echinococcus multilocularis zinc finger protein 0.0026 0.2163 0.2597
Schistosoma mansoni hypothetical protein 0.0025 0.2081 0.2494
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.1575 0.183
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.3224 0.3519
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0084 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0084 0.5
Echinococcus granulosus zinc finger protein 0.0026 0.2163 0.2597
Brugia malayi PHD-finger family protein 0.0032 0.2918 0.2406
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0084 0.5
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.1575 0.183
Schistosoma mansoni zinc finger protein 0.0026 0.2163 0.2593
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0084 0.5
Schistosoma mansoni bromodomain containing protein 0.0078 0.8343 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.5425 0.5921
Leishmania major hypothetical protein, conserved 0.0018 0.1327 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.2583 0.3145
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0084 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0084 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.7777 0.9322
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.7192 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.9164 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0084 0.5
Trypanosoma cruzi ISWI complex protein 0.0018 0.1327 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.1575 0.1888
Brugia malayi CXXC zinc finger family protein 0.0035 0.3224 0.2735
Echinococcus granulosus cpg binding protein 0.0039 0.3726 0.4637
Brugia malayi Bromodomain containing protein 0.0046 0.4579 0.4187
Schistosoma mansoni hypothetical protein 0.0018 0.1327 0.159
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.1664 0.1994
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0084 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (binding) = 79.4328 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

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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