Detailed information for compound 1708519

Basic information

Technical information
  • TDR Targets ID: 1708519
  • Name: (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfa moyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2 -enamide
  • MW: 487.526 | Formula: C23H25N3O7S
  • H donors: 2 H acceptors: 4 LogP: 3.17 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=C/C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2onc(c2C)C)cc(c1OC)OC
  • InChi: 1S/C23H25N3O7S/c1-14-15(2)25-33-23(14)26-34(28,29)18-9-7-17(8-10-18)24-21(27)11-6-16-12-19(30-3)22(32-5)20(13-16)31-4/h6-13,26H,1-5H3,(H,24,27)/b11-6+
  • InChiKey: LIFPERBZIXQFTD-IZZDOVSWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • (E)-N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • (E)-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)acrylamide
  • (E)-N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)acrylamide
  • TULIP017462

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 histone-lysine n-methyltransferase setb1 0.0019 0.0294 0.0366
Loa Loa (eye worm) hypothetical protein 0.0042 0.3864 0.3972
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.1955 0.1847
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.2055 1
Echinococcus granulosus lamin dm0 0.003 0.1955 0.2325
Echinococcus granulosus lamin 0.003 0.1955 0.2325
Echinococcus multilocularis zinc finger protein 0.0022 0.0717 0.0592
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.1214 0.1287
Schistosoma mansoni intermediate filament proteins 0.003 0.1955 0.2432
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.2055 1
Loa Loa (eye worm) intermediate filament protein 0.003 0.1955 0.1847
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.5099 0.5346
Brugia malayi intermediate filament protein 0.003 0.1955 0.1603
Loa Loa (eye worm) hypothetical protein 0.0045 0.4261 0.4413
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0294 0.0366
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.7437 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2055 0.1959
Onchocerca volvulus 0.003 0.1955 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.2055 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.7437 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.5099 0.6727
Schistosoma mansoni bromodomain containing protein 0.007 0.8037 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.5099 0.4885
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.3456 0.4427
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.2055 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0294 0.0366
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.1214 0.151
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.5099 0.6345
Onchocerca volvulus 0.003 0.1955 0.5
Brugia malayi Bromodomain containing protein 0.0042 0.3853 0.3584
Brugia malayi PHD-finger family protein 0.0028 0.161 0.1244
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.5099 0.6345
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.2055 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.1214 0.1287
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.2055 0.5
Schistosoma mansoni lamin 0.003 0.1955 0.2432
Loa Loa (eye worm) hypothetical protein 0.0029 0.1872 0.1755
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.5099 0.6727
Echinococcus multilocularis lamin dm0 0.003 0.1955 0.2325
Leishmania major hypothetical protein, conserved 0.003 0.2055 1
Schistosoma mansoni lamin 0.003 0.1955 0.2432
Loa Loa (eye worm) hypothetical protein 0.003 0.1955 0.1847
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.5099 0.6727
Schistosoma mansoni hypothetical protein 0.0023 0.0894 0.1112
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.2055 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.1955 0.1603
Loa Loa (eye worm) hypothetical protein 0.0078 0.9283 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.5099 0.6345
Echinococcus granulosus zinc finger protein 0.0022 0.0717 0.0592
Brugia malayi hypothetical protein 0.003 0.2055 0.1708
Echinococcus multilocularis lamin 0.003 0.1955 0.2325
Schistosoma mansoni zinc finger protein 0.0022 0.0717 0.0891
Echinococcus granulosus intermediate filament protein 0.003 0.1955 0.2325
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0894 0.0667
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.3456 0.4427
Loa Loa (eye worm) hypothetical protein 0.0047 0.4581 0.4769
Echinococcus multilocularis musashi 0.003 0.1955 0.2325
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0294 0.0366
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0397 0.0114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.5099 0.6727

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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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