Detailed information for compound 878125

Basic information

Technical information
  • TDR Targets ID: 878125
  • Name: methyl 3-[(2-methylphenyl)carbamoylamino]benz oate
  • MW: 284.31 | Formula: C16H16N2O3
  • H donors: 2 H acceptors: 2 LogP: 2.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cccc(c1)NC(=O)Nc1ccccc1C
  • InChi: 1S/C16H16N2O3/c1-11-6-3-4-9-14(11)18-16(20)17-13-8-5-7-12(10-13)15(19)21-2/h3-10H,1-2H3,(H2,17,18,20)
  • InChiKey: QRJOIXRTPUZVIN-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[[[(2-methylphenyl)amino]-oxomethyl]amino]benzoic acid methyl ester
  • 3-[(2-methylphenyl)carbamoylamino]benzoic acid methyl ester
  • ST5182114
  • ZINC03958922
  • Oprea1_463335

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 histone deacetylase, putative 0.0214 0.551 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0109 0.1137 0.2063
Leishmania major histone deacetylase, putative 0.0214 0.551 1
Brugia malayi Animal haem peroxidase family protein 0.0321 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0321 1 1
Onchocerca volvulus 0.0321 1 1
Echinococcus multilocularis histone deacetylase 7 0.0109 0.1137 0.1137
Loa Loa (eye worm) animal heme peroxidase 0.0321 1 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.551 0.551
Trichomonas vaginalis histone deacetylase, putative 0.0214 0.551 0.5
Echinococcus granulosus histone deacetylase 6 0.0109 0.1137 0.1137
Echinococcus granulosus histone deacetylase 7 0.0109 0.1137 0.1137
Giardia lamblia Histone deacetylase 0.0214 0.551 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0321 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0109 0.1137 0.1137
Trypanosoma brucei histone deacetylase 4 0.0109 0.1137 0.2063
Trypanosoma cruzi histone deacetylase 1, putative 0.0214 0.551 1
Echinococcus multilocularis peroxidasin 0.0321 1 1
Echinococcus granulosus peroxidasin 0.0321 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0214 0.551 0.5
Echinococcus multilocularis histone deacetylase 1 0.0214 0.551 0.551
Plasmodium falciparum histone deacetylase 1 0.0214 0.551 1
Trypanosoma brucei histone deacetylase 1 0.0214 0.551 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0321 1 1
Brugia malayi Animal haem peroxidase family protein 0.0321 1 1
Echinococcus multilocularis histone deacetylase 6 0.0109 0.1137 0.1137
Brugia malayi Animal haem peroxidase family protein 0.0321 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0214 0.551 0.5
Brugia malayi histone deacetylase 1 (HD1) 0.0214 0.551 0.551
Loa Loa (eye worm) histone deacetylase 3 0.0214 0.551 0.551
Trypanosoma cruzi histone deacetylase 1, putative 0.0214 0.551 1
Loa Loa (eye worm) histone deacetylase 1 0.0214 0.551 0.551
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Brugia malayi histone deacetylase 3 (HD3) 0.0214 0.551 0.551
Entamoeba histolytica histone deacetylase, putative 0.0214 0.551 0.5
Echinococcus granulosus histone deacetylase 3 0.0214 0.551 0.551
Schistosoma mansoni histone deacetylase hda2 0.0115 0.1386 0.1386
Plasmodium vivax histone deacetylase 2, putative 0.0109 0.1137 0.2063
Loa Loa (eye worm) animal heme peroxidase 0.0321 1 1
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Echinococcus granulosus histone deacetylase 6 0.0109 0.1137 0.1137
Plasmodium vivax histone deacetylase 1, putative 0.0214 0.551 1
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Echinococcus multilocularis histone deacetylase 6 0.0115 0.1386 0.1386
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0109 0.1137 0.2063
Onchocerca volvulus Peroxidasin homolog 0.0321 1 1
Loa Loa (eye worm) histone deacetylase 0.0109 0.1137 0.1137
Onchocerca volvulus 0.0321 1 1
Echinococcus granulosus histone deacetylase 6 0.0115 0.1386 0.1386
Schistosoma mansoni histone deacetylase 4 5 0.0109 0.1137 0.1137
Onchocerca volvulus 0.0321 1 1
Leishmania major histone deacetylase, putative 0.0214 0.551 1
Toxoplasma gondii histone deacetylase HDAC3 0.0214 0.551 1
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Onchocerca volvulus Peroxidasin homolog 0.0321 1 1
Echinococcus granulosus histone deacetylase 0.0109 0.1137 0.1137
Trichomonas vaginalis histone deacetylase, putative 0.0214 0.551 0.5
Toxoplasma gondii histone deacetylase HDAC1 0.0109 0.1137 0.2063
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0214 0.551 0.5
Brugia malayi Peroxidasin 0.0321 1 1
Onchocerca volvulus Dual oxidase homolog 0.0321 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0214 0.551 0.5
Brugia malayi Histone deacetylase 1 0.0214 0.551 0.551
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0109 0.1137 0.2063
Schistosoma mansoni histone deacetylase 0.0214 0.551 0.551
Trypanosoma brucei histone deacetylase, putative 0.0109 0.1137 0.2063
Trichomonas vaginalis histone deacetylase, putative 0.0214 0.551 0.5
Schistosoma mansoni peroxidasin 0.0321 1 1
Onchocerca volvulus Peroxidase homolog 0.0321 1 1
Onchocerca volvulus Peroxidase homolog 0.0321 1 1
Brugia malayi Animal haem peroxidase family protein 0.0321 1 1
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0214 0.551 0.5
Brugia malayi Animal haem peroxidase family protein 0.0321 1 1
Plasmodium vivax histone deacetylase, putative 0.0109 0.1137 0.2063
Brugia malayi Histone deacetylase family protein 0.0109 0.1137 0.1137
Loa Loa (eye worm) animal heme peroxidase 0.0321 1 1
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Echinococcus multilocularis histone deacetylase 0.0109 0.1137 0.1137
Echinococcus granulosus histone deacetylase 1 0.0214 0.551 0.551
Echinococcus multilocularis histone deacetylase 3 0.0214 0.551 0.551
Brugia malayi Blistered cuticle protein 3 0.0321 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.0214 0.551 1
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Loa Loa (eye worm) histone deacetylase 7A 0.0109 0.1137 0.1137
Trypanosoma brucei histone deacetylase 3 0.0109 0.1137 0.2063
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Loa Loa (eye worm) hypothetical protein 0.0321 1 1
Schistosoma mansoni histone deacetylase 0.0214 0.551 0.551
Schistosoma mansoni peroxidasin 0.0321 1 1
Brugia malayi Histone deacetylase family protein 0.0109 0.1137 0.1137
Echinococcus multilocularis histone deacetylase 6 0.0109 0.1137 0.1137

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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