Detailed information for compound 904427

Basic information

Technical information
  • TDR Targets ID: 904427
  • Name: ethyl 3-[(3-chlorobenzoyl)amino]benzoate
  • MW: 303.74 | Formula: C16H14ClNO3
  • H donors: 1 H acceptors: 2 LogP: 3.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cccc(c1)NC(=O)c1cccc(c1)Cl
  • InChi: 1S/C16H14ClNO3/c1-2-21-16(20)12-6-4-8-14(10-12)18-15(19)11-5-3-7-13(17)9-11/h3-10H,2H2,1H3,(H,18,19)
  • InChiKey: CXVOXSAHGRZHDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[(3-chlorophenyl)-oxomethyl]amino]benzoic acid ethyl ester
  • 3-[(3-chlorobenzoyl)amino]benzoic acid ethyl ester
  • ethyl 3-[(3-chlorophenyl)carbonylamino]benzoate
  • EU-0068742
  • 3-(3-Chloro-benzoylamino)-benzoic acid ethyl ester
  • BAS 00579190
  • Oprea1_494363
  • ZINC00128882
  • Oprea1_691166

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
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0294 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.684 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.5673 0.5673
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0118 0.253 0.253
Loa Loa (eye worm) hypothetical protein 0.0059 0.0057 0.0057
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.1053 0.1053
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.684 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.7477 0.7477
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0101 0.1803 0.1803
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0294 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0177 0.5037 0.5037
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0118 0.253 0.253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0199 0.594 0.594
Loa Loa (eye worm) phosphatidylinositol 3 0.0101 0.1803 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0101 0.1803 0.1803
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0064 0.0266 0.039
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0294 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0205 0.6221 0.6221
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0087 0.1234 0.1234
Trichomonas vaginalis PIKK family atypical protein kinase 0.0177 0.5037 0.5037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.7477 0.7477
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.1674 0.1674
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.684 0.684
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0205 0.6221 0.6221
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0294 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0294 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.684 0.684
Toxoplasma gondii target of rapamycin (TOR), putative 0.022 0.684 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.016 0.4316 0.4316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0175 0.4963 0.4963
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0205 0.6221 0.6221
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0101 0.1803 0.1803
Loa Loa (eye worm) hypothetical protein 0.0083 0.1053 0.1053
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0087 0.1217 0.1217
Trichomonas vaginalis PIKK family atypical protein kinase 0.0177 0.5037 0.5037
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0141 0.35 0.35
Loa Loa (eye worm) phosphatidylinositol 3 0.0185 0.5365 0.5365
Trichomonas vaginalis PIKK family atypical protein kinase 0.016 0.4327 0.4327
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0235 0.7487 0.6934
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0101 0.1803 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0294 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0101 0.1803 0.1803
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0118 0.253 0.253
Trichomonas vaginalis PIKK family atypical protein kinase 0.016 0.4327 0.4327
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0294 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.684 0.684
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0294 1 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0083 0.1053 0.1053
Trichomonas vaginalis PIKK family atypical protein kinase 0.016 0.4327 0.4327
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0118 0.253 0.253
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0118 0.253 0.253
Trichomonas vaginalis PIKK family atypical protein kinase 0.016 0.4327 0.4327
Giardia lamblia GTOR 0.0294 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0294 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0101 0.1803 0.1803
Entamoeba histolytica hypothetical protein 0.0098 0.1674 0.1674
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0063 0.0197 0.0197
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0101 0.1803 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.684 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0101 0.1803 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0101 0.1803 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.7477 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.7477 0.7477
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0118 0.253 0.253
Trichomonas vaginalis PIKK family atypical protein kinase 0.016 0.4316 0.4316
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0096 0.161 0.161
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0083 0.1053 0.1053
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0266 0.0266
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0294 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0976 0.0976
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0294 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0101 0.1803 0.1803
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0124 0.279 0.279
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0101 0.1803 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0175 0.4963 0.4963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.7477 0.7477
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0118 0.253 0.253
Loa Loa (eye worm) hypothetical protein 0.0064 0.0266 0.0266
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.684 0.684
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0101 0.1803 0.1803
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0294 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0087 0.1217 0.1217
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0235 0.7487 0.7487
Trichomonas vaginalis PIKK family atypical protein kinase 0.016 0.4316 0.4316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0101 0.1803 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0294 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0235 0.7487 0.7487
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0294 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0252 0.8197 0.8197
Loa Loa (eye worm) phosphatidylinositol 3 0.0294 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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