Detailed information for compound 884455

Basic information

Technical information
  • TDR Targets ID: 884455
  • Name: ethyl 2-[2-[(2-chloro-4-methylsulfonylbenzoyl )amino]-1,3-thiazol-4-yl]acetate
  • MW: 402.873 | Formula: C15H15ClN2O5S2
  • H donors: 1 H acceptors: 5 LogP: 2.18 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cc1csc(n1)NC(=O)c1ccc(cc1Cl)S(=O)(=O)C
  • InChi: 1S/C15H15ClN2O5S2/c1-3-23-13(19)6-9-8-24-15(17-9)18-14(20)11-5-4-10(7-12(11)16)25(2,21)22/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,20)
  • InChiKey: XTWUOZLREACHOD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[2-[(2-chloro-4-methylsulfonyl-benzoyl)amino]thiazol-4-yl]acetate
  • 2-[2-[[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester
  • 2-[2-[(2-chloro-4-mesyl-benzoyl)amino]thiazol-4-yl]acetic acid ethyl ester
  • ethyl 2-[2-[(2-chloro-4-methylsulfonyl-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoate
  • Oprea1_516944

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
Echinococcus multilocularis carbonic anhydrase II 0.0118 0.1467 0.1451
Echinococcus multilocularis lipoxygenase domain containing protein 0.0106 0.1259 0.1243
Echinococcus granulosus lipoxygenase domain containing protein 0.0106 0.1259 0.1259
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0169 0.231 0.7465
Schistosoma mansoni alpha-glucosidase 0.0146 0.192 0.1904
Onchocerca volvulus 0.0033 0.0046 0.0077
Brugia malayi Pre-SET motif family protein 0.0216 0.3088 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0127 0.0127
Schistosoma mansoni lipoxygenase 0.0633 1 1
Onchocerca volvulus 0.0033 0.0046 0.0077
Treponema pallidum ATP-binding protein (ylxH-1) 0.0431 0.6649 0.5
Schistosoma mansoni lipoxygenase 0.0443 0.6842 0.6836
Echinococcus multilocularis RUN 0.0106 0.1259 0.1243
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0118 0.1467 0.1451
Echinococcus granulosus Polycystic kidney disease protein 0.0106 0.1259 0.1259
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0033 0.0046 0.0089
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0127 0.5
Loa Loa (eye worm) doublecortin family protein 0.0106 0.1259 0.4041
Onchocerca volvulus 0.0033 0.0046 0.0077
Echinococcus granulosus lipoxygenase domain containing protein 0.0106 0.1259 0.1259
Onchocerca volvulus 0.0246 0.3584 1
Onchocerca volvulus 0.0106 0.1259 0.348
Brugia malayi hypothetical protein 0.0106 0.1259 0.4041
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0118 0.1467 1
Onchocerca volvulus 0.0106 0.1259 0.348
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.231 0.2296
Plasmodium falciparum LCCL domain-containing protein 0.0106 0.1259 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0019 0.0019
Leishmania major carbonic anhydrase-like protein 0.0118 0.1467 1
Schistosoma mansoni polycystin 1-related 0.0106 0.1259 0.1243
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0033 0.0046 0.0089
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0127 0.0109
Echinococcus granulosus RUN 0.0106 0.1259 0.1259
Loa Loa (eye worm) hypothetical protein 0.0106 0.1259 0.4041
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0127 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0118 0.1467 0.4717
Onchocerca volvulus 0.0098 0.1127 0.311
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0118 0.1467 0.4717
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.3088 1
Onchocerca volvulus 0.0033 0.0046 0.0077
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0033 0.0046 0.0089
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0127 0.0353
Schistosoma mansoni loxhd1 0.0106 0.1259 0.1243
Onchocerca volvulus 0.0033 0.0046 0.0077
Brugia malayi Glycosyl hydrolases family 31 protein 0.0169 0.231 0.7465
Trichomonas vaginalis set domain proteins, putative 0.0246 0.3584 1
Schistosoma mansoni rab6-interacting 0.0106 0.1259 0.1243
Onchocerca volvulus 0.0033 0.0046 0.0077
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0127 0.0353
Echinococcus granulosus carbonic anhydrase II 0.0118 0.1467 0.1467
Trypanosoma brucei carbonic anhydrase-like protein 0.0118 0.1467 1
Schistosoma mansoni rab6-interacting 0.0106 0.1259 0.1243
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0118 0.1467 0.4717
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0127 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0633 1 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0106 0.1259 1
Brugia malayi Doublecortin family protein 0.0106 0.1259 0.4041
Onchocerca volvulus 0.0033 0.0046 0.0077
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0118 0.1467 0.1451
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.231 0.2296
Brugia malayi hypothetical protein 0.0106 0.1259 0.4041
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0118 0.1467 1
Onchocerca volvulus 0.0033 0.0046 0.0077
Schistosoma mansoni alpha glucosidase 0.0038 0.0127 0.0109
Schistosoma mansoni hypothetical protein 0.0106 0.1259 0.1243
Echinococcus multilocularis Polycystic kidney disease protein 0.0106 0.1259 0.1243
Echinococcus multilocularis lipoxygenase domain containing protein 0.0106 0.1259 0.1243
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0033 0.0046 0.0089
Echinococcus granulosus lysosomal alpha glucosidase 0.0169 0.231 0.231
Schistosoma mansoni alpha-glucosidase 0.0146 0.192 0.1904
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0118 0.1467 0.4717
Loa Loa (eye worm) hypothetical protein 0.0106 0.1259 0.4041
Loa Loa (eye worm) hypothetical protein 0.0033 0.0046 0.0089

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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