Detailed information for compound 662638

Basic information

Technical information
  • TDR Targets ID: 662638
  • Name: 2-[(4-ethylphenyl)-methylsulfonylamino]-N-(4- iodo-2-methylphenyl)acetamide
  • MW: 472.34 | Formula: C18H21IN2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.79 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)N(S(=O)(=O)C)CC(=O)Nc1ccc(cc1C)I
  • InChi: 1S/C18H21IN2O3S/c1-4-14-5-8-16(9-6-14)21(25(3,23)24)12-18(22)20-17-10-7-15(19)11-13(17)2/h5-11H,4,12H2,1-3H3,(H,20,22)
  • InChiKey: OWWQIWKJEBEPAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-ethylphenyl)-methylsulfonyl-amino]-N-(4-iodo-2-methyl-phenyl)acetamide
  • 2-[(4-ethylphenyl)-mesyl-amino]-N-(4-iodo-2-methyl-phenyl)acetamide
  • 2-[(4-ethylphenyl)-methylsulfonyl-amino]-N-(4-iodo-2-methyl-phenyl)ethanamide
  • ZINC00982580
  • AH-487/41795552

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
Loa Loa (eye worm) RNA binding protein 0.0123 0.5017 0.5767
Brugia malayi Pre-SET motif family protein 0.0029 0.0637 0.0732
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.1052
Entamoeba histolytica hypothetical protein 0.0035 0.0914 0.5
Mycobacterium ulcerans hypothetical protein 0.0035 0.0915 0.5
Brugia malayi TAR-binding protein 0.0123 0.5017 0.5767
Brugia malayi beta-lactamase 0.0035 0.0915 0.1052
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.969 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.5017 1
Echinococcus multilocularis muscleblind protein 1 0.0146 0.6043 1
Schistosoma mansoni hypothetical protein 0.0033 0.0828 0.165
Entamoeba histolytica hypothetical protein 0.0035 0.0914 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0915 0.1052
Toxoplasma gondii ABC1 family protein 0.0035 0.0915 1
Brugia malayi RNA recognition motif domain containing protein 0.0123 0.5017 0.5767
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0915 0.1052
Brugia malayi MH2 domain containing protein 0.0116 0.4686 0.5387
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0637 0.1054
Echinococcus multilocularis muscleblind protein 0.0146 0.6043 1
Echinococcus multilocularis tar DNA binding protein 0.0123 0.5017 0.8302
Schistosoma mansoni tar DNA-binding protein 0.0123 0.5017 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1541 0.1772
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0915 0.5
Onchocerca volvulus 0.0035 0.0915 0.0297
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0915 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0914 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0914 0.1822
Brugia malayi Muscleblind-like protein 0.0146 0.6043 0.6946
Brugia malayi Pre-SET motif family protein 0.0203 0.87 1
Schistosoma mansoni hypothetical protein 0.0035 0.0914 0.1822
Loa Loa (eye worm) hypothetical protein 0.0033 0.0828 0.0952
Loa Loa (eye worm) hypothetical protein 0.0029 0.0637 0.0732
Loa Loa (eye worm) TAR-binding protein 0.0123 0.5017 0.5767
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0915 0.5
Schistosoma mansoni tar DNA-binding protein 0.0123 0.5017 1
Echinococcus granulosus tar DNA binding protein 0.0123 0.5017 0.8302
Mycobacterium leprae Probable lipase LipE 0.0035 0.0915 0.5
Brugia malayi hypothetical protein 0.0035 0.0914 0.105
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0637 0.1269
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0637 0.1269
Leishmania major hypothetical protein, conserved 0.0035 0.0915 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.1052
Loa Loa (eye worm) hypothetical protein 0.0049 0.1541 0.1772
Mycobacterium ulcerans lipase LipD 0.0035 0.0915 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0914 0.1512
Schistosoma mansoni tar DNA-binding protein 0.0123 0.5017 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.5017 1
Onchocerca volvulus 0.0035 0.0915 0.0297
Loa Loa (eye worm) hypothetical protein 0.0146 0.6043 0.6946
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0637 0.1269
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.4686 0.5387
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.4686 0.5387
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0915 0.1514
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0828 0.0952
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0915 0.5
Echinococcus granulosus muscleblind protein 0.0146 0.6043 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1541 0.1772
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0915 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.87 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.1052
Loa Loa (eye worm) hypothetical protein 0.0146 0.6043 0.6946
Loa Loa (eye worm) beta-lactamase 0.0035 0.0915 0.1052
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0637 0.1054
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0587 0.0972
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0915 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0914 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0914 0.1512
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1541 0.1772
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0915 0.1824
Mycobacterium ulcerans beta-lactamase 0.0035 0.0915 0.5
Trichomonas vaginalis set domain proteins, putative 0.0231 1 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0915 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0123 0.5017 0.5767
Brugia malayi beta-lactamase family protein 0.0035 0.0915 0.1052
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.1052
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0915 0.1052
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.1052
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0637 0.1269
Onchocerca volvulus 0.0035 0.0915 0.0297
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0915 0.1824
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0915 0.1514
Loa Loa (eye worm) hypothetical protein 0.0035 0.0915 0.1052
Brugia malayi RNA binding protein 0.0123 0.5017 0.5767
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0637 0.1054

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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