Detailed information for compound 1426537

Basic information

Technical information
  • TDR Targets ID: 1426537
  • Name: (4-chlorophenyl) N-[(4-ethoxy-6-phenyl-1,3,5- triazin-2-yl)carbamoyl]sulfamate
  • MW: 449.868 | Formula: C18H16ClN5O5S
  • H donors: 2 H acceptors: 6 LogP: 4.26 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1nc(NC(=O)NS(=O)(=O)Oc2ccc(cc2)Cl)nc(n1)c1ccccc1
  • InChi: 1S/C18H16ClN5O5S/c1-2-28-18-21-15(12-6-4-3-5-7-12)20-16(23-18)22-17(25)24-30(26,27)29-14-10-8-13(19)9-11-14/h3-11H,2H2,1H3,(H2,20,21,22,23,24,25)
  • InChiKey: DSNXLXUSGGDXDK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamic acid (4-chlorophenyl) ester
  • N-[(4-ethoxy-6-phenyl-s-triazin-2-yl)carbamoyl]sulfamic acid (4-chlorophenyl) ester
  • NCGC00102859-01
  • A3128/0132329

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus granulosus tar DNA binding protein 0.0076 0.5647 0.8
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0867 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.5034
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.5034
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.5034
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.5034
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1508 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5647 0.8
Schistosoma mansoni DNA polymerase eta 0.0023 0.0867 0.1229
Echinococcus granulosus dna polymerase eta 0.0023 0.0867 0.1229
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1508 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5647 0.8
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.5034
Brugia malayi RNA binding protein 0.0076 0.5647 0.5399
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1508 1
Loa Loa (eye worm) transcription factor SMAD2 0.0125 1 1
Brugia malayi TAR-binding protein 0.0076 0.5647 0.5399
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.5034
Giardia lamblia DINP protein human, muc B family 0.0023 0.0867 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.1508 0.0702
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.7058 0.6779
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.7058 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.5647 0.5233
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0867 0.0347
Trypanosoma brucei unspecified product 0.0023 0.0867 0.5034
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0867 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0867 0.0347
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0867 0.5034
Brugia malayi hypothetical protein 0.003 0.1508 0.1025
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.5034
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1508 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5647 0.8
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0867 0.5
Echinococcus multilocularis dna polymerase eta 0.0023 0.0867 0.1229
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0867 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.5034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.7058 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.7058 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0867 0.1229
Echinococcus multilocularis tar DNA binding protein 0.0076 0.5647 0.8
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1508 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0867 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1508 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.7058 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.5034
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.7058 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0867 0.1229
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0867 0.1229
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.7058 0.6891
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0867 0.1229
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.5647 0.5233
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.5647 0.5399
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.7058 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.0867 0.1229
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0867 0.1229
Loa Loa (eye worm) TAR-binding protein 0.0076 0.5647 0.5233
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1508 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0867 0.5034
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.5034
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5647 0.8
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.7058 1
Leishmania major hypothetical protein, conserved 0.003 0.1508 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0867 0.5034
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0867 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0867 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0867 0.5034
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5647 0.8

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) = 39.8107 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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