Detailed information for compound 737839

Basic information

Technical information
  • TDR Targets ID: 737839
  • Name: 2-[(4-methoxy-3-methylphenyl)sulfonyl-methyla mino]-N-(2-methyl-5-nitrophenyl)acetamide
  • MW: 407.441 | Formula: C18H21N3O6S
  • H donors: 1 H acceptors: 5 LogP: 2.5 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C)S(=O)(=O)N(CC(=O)Nc1cc(ccc1C)[N+](=O)[O-])C
  • InChi: 1S/C18H21N3O6S/c1-12-5-6-14(21(23)24)10-16(12)19-18(22)11-20(3)28(25,26)15-7-8-17(27-4)13(2)9-15/h5-10H,11H2,1-4H3,(H,19,22)
  • InChiKey: DHCXMFNBNGSLQM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(2-methyl-5-nitro-phenyl)acetamide
  • 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(2-methyl-5-nitro-phenyl)ethanamide
  • CBKinase1_019698
  • CBKinase1_007298
  • STK318714
  • ZINC02859419

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
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0035 0.0726 0.5
Onchocerca volvulus 0.005 0.1183 0.5
Echinococcus multilocularis tumor protein p63 0.0341 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.352 0.2993
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0035 0.0726 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1676 0.3005
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1676 0.3005
Brugia malayi RNA binding protein 0.0066 0.1676 1
Schistosoma mansoni hypothetical protein 0.0127 0.352 0.8996
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0035 0.0726 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1676 0.3005
Toxoplasma gondii peptidylprolyl isomerase 0.0035 0.0726 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.352 0.2993
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0011 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0752 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0035 0.0726 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0137 0.3829 0.3327
Schistosoma mansoni cellular tumor antigen P53 0.005 0.1183 0.1403
Schistosoma mansoni thyroid hormone receptor 0.0137 0.3829 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1676 0.3005
Echinococcus multilocularis tar DNA binding protein 0.0066 0.1676 0.1
Echinococcus granulosus tar DNA binding protein 0.0066 0.1676 0.1
Brugia malayi TAR-binding protein 0.0066 0.1676 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.1676 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1183 0.467
Trichomonas vaginalis rotamase, putative 0.0036 0.0752 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.1676 1
Loa Loa (eye worm) TAR-binding protein 0.0066 0.1676 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1676 0.3005
Schistosoma mansoni thyroid hormone receptor 0.0137 0.3829 1
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0035 0.0726 1
Loa Loa (eye worm) RNA binding protein 0.0066 0.1676 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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