Detailed information for compound 715210

Basic information

Technical information
  • TDR Targets ID: 715210
  • Name: dimethyl 2-[[4-[methyl-(4-methylphenyl)sulfon ylamino]benzoyl]amino]benzene-1,4-dicarboxyla te
  • MW: 496.532 | Formula: C25H24N2O7S
  • H donors: 1 H acceptors: 5 LogP: 4.08 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1NC(=O)c1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)C)C)C(=O)OC
  • InChi: 1S/C25H24N2O7S/c1-16-5-12-20(13-6-16)35(31,32)27(2)19-10-7-17(8-11-19)23(28)26-22-15-18(24(29)33-3)9-14-21(22)25(30)34-4/h5-15H,1-4H3,(H,26,28)
  • InChiKey: RWCRJRRSASCXSB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • dimethyl 2-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoyl]amino]benzene-1,4-dicarboxylate
  • 2-[[[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
  • 2-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
  • dimethyl 2-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzene-1,4-dicarboxylate
  • ZINC02854609

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 Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Echinococcus multilocularis tar DNA binding protein 0.0062 0.277 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.277 1
Brugia malayi DIX domain containing protein 0.001 0.0164 0.0146
Schistosoma mansoni dishevelled 0.001 0.0164 0.0592
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0164 0.0531
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0164 0.0531
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Schistosoma mansoni regulator of G protein signaling 0.001 0.0164 0.0592
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0007 0.0018 0.5
Brugia malayi hypothetical protein 0.001 0.0164 0.0146
Loa Loa (eye worm) TAR-binding protein 0.0062 0.277 0.2757
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0018 0.0064
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0164 0.0531
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0007 0.0018 0.0064
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.277 0.2757
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0164 0.0531
Onchocerca volvulus 0.001 0.0164 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0062 0.277 1
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0164 0.0146
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0164 0.0146
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0164 0.0592
Schistosoma mansoni ras GTP exchange factor 0.0007 0.0018 0.0064
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Brugia malayi hypothetical protein 0.001 0.0164 0.0146
Trypanosoma cruzi hypothetical protein 0.0007 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0164 0.0146
Echinococcus granulosus tar DNA binding protein 0.0062 0.277 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Brugia malayi RNA binding protein 0.0062 0.277 0.2757
Entamoeba histolytica hypothetical protein 0.0007 0.0018 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0164 0.0531
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0018 0.0064
Schistosoma mansoni dishevelled 0.001 0.0164 0.0592
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.277 0.2757
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0007 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0205 1 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0164 0.0146
Loa Loa (eye worm) RNA binding protein 0.0062 0.277 0.2757
Trichomonas vaginalis ras GTP exchange factor, putative 0.0007 0.0018 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0164 0.0531
Trypanosoma cruzi hypothetical protein 0.0007 0.0018 0.5
Trichomonas vaginalis ras GTP exchange factor, putative 0.0007 0.0018 0.5
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0164 0.0531
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0164 0.0592
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0018 0.0064
Toxoplasma gondii hypothetical protein 0.001 0.0164 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0164 0.0531
Schistosoma mansoni tar DNA-binding protein 0.0062 0.277 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0164 0.0146
Brugia malayi TAR-binding protein 0.0062 0.277 0.2757
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0205 1 1
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0164 0.0531
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.277 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0164 0.0531
Schistosoma mansoni dep domain containing protein 0.001 0.0164 0.0592
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.277 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0164 0.0146
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.001 0.0164 0.0146
Loa Loa (eye worm) hypothetical protein 0.001 0.0164 0.0146

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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