Detailed information for compound 1373543

Basic information

Technical information
  • TDR Targets ID: 1373543
  • Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]p henyl]-2-(2-methoxyethoxy)acetamide
  • MW: 394.445 | Formula: C17H22N4O5S
  • H donors: 2 H acceptors: 5 LogP: 0.77 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(n1)C
  • InChi: 1S/C17H22N4O5S/c1-12-10-16(19-13(2)18-12)21-27(23,24)15-6-4-14(5-7-15)20-17(22)11-26-9-8-25-3/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)(H,18,19,21)
  • InChiKey: AEWWHBNMOGOQHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)acetamide
  • N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)ethanamide
  • ZINC01763460
  • ZINC02284669
  • STK023293
  • BAS 03181558
  • AJ-292/40762695

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni adenosine kinase 0.0196 0 0.5
Echinococcus multilocularis ribokinase 0.0196 0 0.5
Leishmania major adenosine kinase-like protein 0.0196 0 0.5
Trypanosoma cruzi adenosine kinase, putative 0.0196 0 0.5
Entamoeba histolytica ribokinase, putative 0.0196 0 0.5
Leishmania major tagatose-6-phosphate kinase-like protein 0.0196 0 0.5
Leishmania major tagatose-6-phosphate kinase-like protein 0.0196 0 0.5
Giardia lamblia Ribokinase 0.0196 0 0.5
Trypanosoma cruzi adenosine kinase, putative 0.0196 0 0.5
Trypanosoma brucei adenosine kinase, putative 0.0196 0 0.5
Leishmania major putative PfkB family sugar kinase 0.0196 0 0.5
Leishmania major ribokinase, putative 0.0196 0 0.5
Mycobacterium tuberculosis Adenosine kinase 0.0196 0 0.5
Trypanosoma brucei ribokinase, putative 0.0196 0 0.5
Trypanosoma brucei adenosine kinase, putative 0.0196 0 0.5
Trypanosoma cruzi ribokinase, putative 0.0196 0 0.5
Trichomonas vaginalis ribokinase, putative 0.0196 0 0.5
Trichomonas vaginalis ribokinase, putative 0.0196 0 0.5
Onchocerca volvulus 0.5116 1 1
Entamoeba histolytica tagatose-6-phosphate kinase, putative 0.0196 0 0.5
Entamoeba histolytica fructokinase, putative 0.0196 0 0.5
Mycobacterium tuberculosis Ribokinase RbsK 0.0196 0 0.5
Echinococcus multilocularis pseudouridine metabolizing bifunctional protein 0.0196 0 0.5
Toxoplasma gondii kinase, pfkB family protein 0.0196 0 0.5
Leishmania major adenosine kinase, putative 0.0196 0 0.5
Mycobacterium leprae Probable adenosine kinase adk 0.0196 0 0.5
Mycobacterium tuberculosis 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) 0.0196 0 0.5
Trichomonas vaginalis ribokinase, putative 0.0196 0 0.5
Echinococcus granulosus ribokinase 0.0196 0 0.5
Echinococcus granulosus adenosine kinase 0.0196 0 0.5
Echinococcus multilocularis adenosine kinase 0.0196 0 0.5
Entamoeba histolytica Hypothetical protein T24C12.3, putative 0.0196 0 0.5
Entamoeba histolytica kinase, PfkB family 0.0196 0 0.5
Schistosoma mansoni ribokinase 0.0196 0 0.5
Loa Loa (eye worm) hypothetical protein 0.5116 1 1
Trypanosoma brucei ribokinase, putative 0.0196 0 0.5
Leishmania major adenosine kinase-like protein 0.0196 0 0.5
Trypanosoma cruzi adenosine kinase, putative 0.0196 0 0.5
Toxoplasma gondii kinase, pfkB family protein 0.0196 0 0.5
Mycobacterium ulcerans fructokinase, PfkB 0.0196 0 0.5
Mycobacterium ulcerans carbohydrate kinase CbhK 0.0196 0 0.5
Trypanosoma cruzi adenosine kinase, putative 0.0196 0 0.5
Echinococcus granulosus pseudouridine metabolizing bifunctional protein 0.0196 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0196 0 0.5
Schistosoma mansoni adenosine kinase 0.0196 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 100 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

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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