Detailed information for compound 710039

Basic information

Technical information
  • TDR Targets ID: 710039
  • Name: 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenox y]-N-[(4-methylphenyl)methyl]acetamide
  • MW: 404.523 | Formula: C21H28N2O4S
  • H donors: 2 H acceptors: 3 LogP: 3.76 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CNS(=O)(=O)c1ccc(c(c1)C)OCC(=O)NCc1ccc(cc1)C)C
  • InChi: 1S/C21H28N2O4S/c1-15(2)12-23-28(25,26)19-9-10-20(17(4)11-19)27-14-21(24)22-13-18-7-5-16(3)6-8-18/h5-11,15,23H,12-14H2,1-4H3,(H,22,24)
  • InChiKey: HBVATUFHLZKLAQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(isobutylsulfamoyl)-2-methyl-phenoxy]-N-[(4-methylphenyl)methyl]acetamide
  • 2-[4-(isobutylsulfamoyl)-2-methylphenoxy]-N-[(4-methylphenyl)methyl]acetamide
  • 2-[4-(isobutylsulfamoyl)-2-methyl-phenoxy]-N-(4-methylbenzyl)acetamide
  • 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(4-methylphenyl)methyl]ethanamide
  • ZINC02869409

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
Trichomonas vaginalis pyruvate kinase, putative 0.014 0.3303 0.8567
Onchocerca volvulus Pyruvate kinase homolog 0.014 0.3303 1
Echinococcus multilocularis GA binding protein alpha chain 0.0073 0.1038 0.0044
Loa Loa (eye worm) hypothetical protein 0.0097 0.187 0.192
Brugia malayi Fli-1 protein 0.0221 0.6068 0.6952
Loa Loa (eye worm) pyruvate kinase 0.014 0.3303 0.3609
Loa Loa (eye worm) pyruvate kinase 0.014 0.3303 0.3609
Schistosoma mansoni hypothetical protein 0.0189 0.4975 0.5579
Echinococcus granulosus histone acetyltransferase KAT2B 0.0088 0.1555 0.0619
Brugia malayi Ets-domain containing protein 0.0073 0.1038 0.1189
Echinococcus granulosus geminin 0.0189 0.4975 0.4418
Loa Loa (eye worm) pyruvate kinase 0.014 0.3303 0.3609
Echinococcus multilocularis pyruvate kinase 0.014 0.3303 0.2561
Trichomonas vaginalis pyruvate kinase, putative 0.014 0.3303 0.8567
Echinococcus multilocularis pyruvate kinase 0.014 0.3303 0.2561
Trypanosoma cruzi pyruvate kinase 2, putative 0.014 0.3303 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0148 0.3596 1
Echinococcus granulosus pyruvate kinase 0.014 0.3303 0.2561
Echinococcus multilocularis pyruvate kinase 0.011 0.2305 0.1452
Loa Loa (eye worm) fli-1 protein 0.0221 0.6068 0.6866
Schistosoma mansoni gabp alpha 0.0073 0.1038 0.0939
Plasmodium vivax pyruvate kinase, putative 0.014 0.3303 1
Mycobacterium tuberculosis Probable aminotransferase 0.0148 0.3596 1
Echinococcus multilocularis tumor protein p63 0.0337 1 1
Entamoeba histolytica pyruvate kinase, putative 0.0097 0.187 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0097 0.187 0.192
Leishmania major pyruvate kinase 0.014 0.3303 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0073 0.1038 0.0939
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0088 0.1555 0.2417
Schistosoma mansoni pyruvate kinase 0.014 0.3303 0.3609
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0148 0.3596 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.03 0.8728 0.8587
Loa Loa (eye worm) hypothetical protein 0.0062 0.0679 0.0517
Schistosoma mansoni ets-related 0.0221 0.6068 0.6866
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0088 0.1555 0.2417
Loa Loa (eye worm) acetyltransferase 0.03 0.8728 1
Chlamydia trachomatis pyruvate kinase 0.014 0.3303 0.5
Mycobacterium ulcerans hypothetical protein 0.0148 0.3596 1
Echinococcus granulosus pyruvate kinase 0.014 0.3303 0.2561
Echinococcus granulosus GA binding protein alpha chain 0.0073 0.1038 0.0044
Loa Loa (eye worm) hypothetical protein 0.014 0.3303 0.3609
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0148 0.3596 1
Schistosoma mansoni pyruvate kinase 0.0072 0.0998 0.0893
Schistosoma mansoni pyruvate kinase 0.014 0.3303 0.3609
Plasmodium falciparum histone acetyltransferase GCN5 0.0081 0.1306 0.1337
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.03 0.8728 1
Brugia malayi Ets-domain containing protein 0.0073 0.1038 0.1189
Brugia malayi Pyruvate kinase, muscle isozyme 0.014 0.3303 0.3785
Leishmania major pyruvate kinase 0.014 0.3303 0.5
Schistosoma mansoni hypothetical protein 0.0189 0.4975 0.5579
Giardia lamblia Pyruvate kinase 0.014 0.3303 1
Onchocerca volvulus Pyruvate kinase homolog 0.014 0.3303 1
Echinococcus multilocularis geminin 0.0189 0.4975 0.4418
Giardia lamblia Histone acetyltransferase GCN5 0.0081 0.1306 0.1337
Echinococcus granulosus histone acetyltransferase KAT2B 0.0291 0.8443 0.8271
Onchocerca volvulus Pyruvate kinase homolog 0.014 0.3303 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0088 0.1555 0.2417
Brugia malayi acetyltransferase, GNAT family protein 0.03 0.8728 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0148 0.3596 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.014 0.3303 0.5
Toxoplasma gondii pyruvate kinase PyK1 0.014 0.3303 1
Plasmodium falciparum pyruvate kinase 0.014 0.3303 1
Trypanosoma brucei pyruvate kinase 1, putative 0.014 0.3303 0.5
Trypanosoma brucei pyruvate kinase 1 0.014 0.3303 0.5
Brugia malayi Pyruvate kinase, M2 isozyme 0.014 0.3303 0.3785

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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