Detailed information for compound 841181

Basic information

Technical information
  • TDR Targets ID: 841181
  • Name: 4-keto-4-[[2-(phenylcarbamoyl)phenyl]amino]bu tyric acid
  • MW: 312.32 | Formula: C17H16N2O4
  • H donors: 3 H acceptors: 4 LogP: 1.92 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
  • InChi: 1S/C17H16N2O4/c20-15(10-11-16(21)22)19-14-9-5-4-8-13(14)17(23)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,23)(H,19,20)(H,21,22)
  • InChiKey: XNXAMWFXKSNVMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-oxo-4-[[2-(phenylcarbamoyl)phenyl]amino]butanoic acid
  • 4-oxo-4-[[2-[oxo-(phenylamino)methyl]phenyl]amino]butanoic acid
  • ARONIS017564
  • BAS 00632354
  • BIM-0016937.P001
  • CBMicro_016876
  • MLS000026908
  • N-(2-Phenylcarbamoyl-phenyl)-succinamic acid
  • Oprea1_281648
  • Oprea1_359249
  • SMR000122893
  • ST027800

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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 PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0138 0.0944
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0046 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0119 0.0449 1
Echinococcus granulosus serine protein kinase ATM 0.0067 0.0138 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0138 0.0944
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0119 0.0449 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.0449 0.3599
Onchocerca volvulus 0.0286 0.1458 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0119 0.0449 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1458 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0138 0.1102
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0119 0.0449 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0138 0.0944
Leishmania major hypothetical protein, conserved 0.0619 0.3462 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0067 0.0138 0.0092
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0119 0.0449 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0138 0.0944
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0138 0.0944
Brugia malayi Pre-SET motif family protein 0.0251 0.1249 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Echinococcus multilocularis serine protein kinase ATM 0.0067 0.0138 0.0092
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0119 0.0449 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0119 0.0449 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.0449 0.3599
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0184 0.126
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.0449 0.3354
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0119 0.0449 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0119 0.0449 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0075 0.0184 0.1478
Trypanosoma cruzi hypothetical protein, conserved 0.0596 0.3325 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0138 0.0944
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0119 0.0449 0.0405
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0119 0.0449 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0184 0.126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0138 0.0944
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0119 0.0449 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Giardia lamblia GTOR 0.0119 0.0449 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.5635 0.5614
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0138 0.0944
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0119 0.0449 0.0405
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0075 0.0184 0.1478
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0067 0.0138 0.0414
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.1704 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0067 0.0138 0.0414
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.0449 0.3354
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1249 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0119 0.0449 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0119 0.0449 0.0405
Loa Loa (eye worm) hypothetical protein 0.0075 0.0184 0.1471
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0119 0.0449 0.1352
Toxoplasma gondii target of rapamycin (TOR), putative 0.0119 0.0449 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0067 0.0138 0.2269
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0119 0.0449 0.0405
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.0138 0.0761
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.0138 0.0761
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trypanosoma cruzi target of rapamycin kinase 3 0.0119 0.0449 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0067 0.0138 0.2269
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0067 0.0138 0.0092
Loa Loa (eye worm) hypothetical protein 0.0052 0.0046 0.0369
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0449 0.3083

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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