Detailed information for compound 885074

Basic information

Technical information
  • TDR Targets ID: 885074
  • Name: N-(3-acetylphenyl)-4-methoxy-2,3,6-trimethylb enzenesulfonamide
  • MW: 347.429 | Formula: C18H21NO4S
  • H donors: 1 H acceptors: 3 LogP: 3.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C)c(c(c1C)C)S(=O)(=O)Nc1cccc(c1)C(=O)C
  • InChi: 1S/C18H21NO4S/c1-11-9-17(23-5)12(2)13(3)18(11)24(21,22)19-16-8-6-7-15(10-16)14(4)20/h6-10,19H,1-5H3
  • InChiKey: BYFHACZKCXFIII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-acetylphenyl)-4-methoxy-2,3,6-trimethyl-benzenesulfonamide
  • N-(3-ethanoylphenyl)-4-methoxy-2,3,6-trimethyl-benzenesulfonamide

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
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0738 0.1118 0.1118
Chlamydia trachomatis biotin carboxylase 0.067 0.0959 1
Schistosoma mansoni acetyl-CoA carboxylase 0.1938 0.394 1
Trypanosoma brucei unspecified product 0.0485 0.0524 0.0524
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0738 0.1118 0.2839
Leishmania major acetyl-CoA carboxylase, putative 0.1938 0.394 0.394
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1938 0.394 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0738 0.1118 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.4516 1 1
Toxoplasma gondii pyruvate carboxylase 0.0738 0.1118 0.2839
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.4516 1 1
Leishmania major carboxylase, putative 0.0738 0.1118 0.1118
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0738 0.1118 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0738 0.1118 1
Trypanosoma brucei acetyl-CoA carboxylase 0.1938 0.394 0.394
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0738 0.1118 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1403 0.2681 0.5
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0738 0.1118 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0738 0.1118 0.1118
Echinococcus multilocularis mitogen activated protein kinase 11 0.4516 1 1
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.1938 0.394 0.394
Trypanosoma cruzi acetyl-CoA carboxylase 0.12 0.2204 0.2204
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.4516 1 1
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.4516 1 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0331 0.016 0.5
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0738 0.1118 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.4516 1 1
Schistosoma mansoni pyruvate carboxylase 0.0738 0.1118 0.2839
Echinococcus multilocularis mitogen activated protein kinase 14 0.4516 1 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0738 0.1118 0.1118
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1938 0.394 0.394
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1403 0.2681 0.5
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0738 0.1118 0.1118
Echinococcus granulosus mitogen activated protein kinase 14 0.4516 1 1
Mycobacterium ulcerans pyruvate carboxylase 0.0738 0.1118 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1938 0.394 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.4516 1 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0738 0.1118 0.2839
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0738 0.1118 0.1118
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0738 0.1118 0.1118
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0738 0.1118 0.1118
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0738 0.1118 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0331 0.016 0.5
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.4516 1 1
Echinococcus granulosus mitogen activated protein kinase 11 0.4516 1 1

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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