Detailed information for compound 894865

Basic information

Technical information
  • TDR Targets ID: 894865
  • Name: 2-methoxyethyl 5-[(2,5-dimethylphenyl)sulfony lamino]-2-methyl-1-benzofuran-3-carboxylate
  • MW: 417.475 | Formula: C21H23NO6S
  • H donors: 1 H acceptors: 3 LogP: 3.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOC(=O)c1c(C)oc2c1cc(cc2)NS(=O)(=O)c1cc(C)ccc1C
  • InChi: 1S/C21H23NO6S/c1-13-5-6-14(2)19(11-13)29(24,25)22-16-7-8-18-17(12-16)20(15(3)28-18)21(23)27-10-9-26-4/h5-8,11-12,22H,9-10H2,1-4H3
  • InChiKey: NVHOSZGRIAKWDV-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-methoxyethyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate
  • 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester
  • 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid 2-methoxyethyl ester
  • BIM-0007963.P001
  • CBMicro_007838
  • ChemDiv1_006035
  • ZINC04660866
  • AQ-390/42425578

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 cathepsin D (A01 family) 0.015 0.1496 0.1496
Plasmodium vivax aspartyl proteinase, putative 0.0051 0 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0127 0.1148 0.5
Echinococcus multilocularis peroxidasin 0.0067 0.0242 0.0242
Echinococcus multilocularis glycogen phosphorylase 0.0217 0.2502 0.2502
Echinococcus granulosus glycogen phosphorylase 0.0217 0.2502 0.2502
Leishmania major carbonic anhydrase-like protein 0.0127 0.1148 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Toxoplasma gondii aspartyl protease ASP1 0.0051 0 0.5
Plasmodium falciparum plasmepsin IV 0.0051 0 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0127 0.1148 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0217 0.2502 1
Schistosoma mansoni peroxidasin 0.0067 0.0242 0.0242
Schistosoma mansoni glycogen phosphorylase 0.0094 0.0646 0.0646
Loa Loa (eye worm) glycogen phosphorylase 0.0217 0.2502 0.2502
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Schistosoma mansoni peroxidasin 0.0067 0.0242 0.0242
Loa Loa (eye worm) animal heme peroxidase 0.0067 0.0242 0.0242
Schistosoma mansoni glycogen phosphorylase 0.0217 0.2502 0.2502
Echinococcus granulosus glycogen phosphorylase 0.0217 0.2502 0.2502
Loa Loa (eye worm) blistered cuticle protein 3 0.0067 0.0242 0.0242
Trichomonas vaginalis glycogen phosphorylase, putative 0.0217 0.2502 1
Brugia malayi carbohydrate phosphorylase 0.0217 0.2502 0.2316
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0051 0 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0217 0.2502 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0127 0.1148 0.1148
Plasmodium vivax plasmepsin IV, putative 0.0051 0 0.5
Giardia lamblia Glycogen phosphorylase 0.0217 0.2502 0.5
Echinococcus granulosus carbonic anhydrase II 0.0127 0.1148 0.1148
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0127 0.1148 0.0929
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0127 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Plasmodium falciparum plasmepsin II 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Loa Loa (eye worm) animal heme peroxidase 0.0067 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0127 0.1148 0.0929
Schistosoma mansoni glycogen phosphorylase 0.0217 0.2502 0.2502
Echinococcus granulosus peroxidasin 0.0067 0.0242 0.0242
Trichomonas vaginalis glycogen phosphorylase, putative 0.0217 0.2502 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0714 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0286 0.3547 1
Onchocerca volvulus Glycogen phosphorylase homolog 0.0217 0.2502 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0714 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0478 0.6439 0.6439
Mycobacterium ulcerans short chain dehydrogenase 0.0286 0.3547 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0714 1 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0714 1 1
Echinococcus granulosus Glycosyl transferase family 35 0.0217 0.2502 0.2502
Echinococcus multilocularis Glycosyl transferase, family 35 0.0217 0.2502 0.2502
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Trypanosoma brucei carbonic anhydrase-like protein 0.0127 0.1148 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Schistosoma mansoni cathepsin D (A01 family) 0.015 0.1496 0.1496
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Chlamydia trachomatis glycogen phosphorylase 0.0217 0.2502 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Plasmodium falciparum plasmepsin I 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Plasmodium falciparum plasmepsin VI 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Echinococcus multilocularis glycogen phosphorylase 0.0217 0.2502 0.2502
Loa Loa (eye worm) hypothetical protein 0.0067 0.0242 0.0242
Loa Loa (eye worm) animal heme peroxidase 0.0067 0.0242 0.0242
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0127 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0478 0.6439 0.6439
Echinococcus multilocularis carbonic anhydrase II 0.0127 0.1148 0.1148
Loa Loa (eye worm) carbonic anhydrase 3 0.0127 0.1148 0.1148
Loa Loa (eye worm) animal heme peroxidase 0.0067 0.0242 0.0242

Activities

No activities found for this compound.

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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