Detailed information for compound 461351

Basic information

Technical information
  • TDR Targets ID: 461351
  • Name: methyl 2-[(4-chlorobenzoyl)amino]benzoate
  • MW: 289.714 | Formula: C15H12ClNO3
  • H donors: 1 H acceptors: 2 LogP: 3.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1NC(=O)c1ccc(cc1)Cl
  • InChi: 1S/C15H12ClNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18)
  • InChiKey: ZYEPFICGIPSSPH-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[(4-chlorophenyl)-oxomethyl]amino]benzoic acid methyl ester
  • methyl 2-[(4-chlorophenyl)carbonylamino]benzoate
  • 2-[(4-chlorobenzoyl)amino]benzoic acid methyl ester
  • ST5034181
  • ZINC00272904
  • Oprea1_329166
  • CBMicro_012442
  • BIM-0012277.P001

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
Echinococcus granulosus metabotropic glutamate receptor 2 0.007 0.0078 0.0055
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0055 0.0037
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0103 0.0147 0.0145
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0076 0.009 0.0073
Echinococcus granulosus poly adp ribose polymerase 2 0.0077 0.0093 0.007
Loa Loa (eye worm) hypothetical protein 0.0107 0.0154 0.0153
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0055 0.0031
Schistosoma mansoni metabotropic glutamate receptor 0.007 0.0078 0.0061
Brugia malayi jmjC domain containing protein 0.0058 0.0055 0.0037
Echinococcus multilocularis metabotropic glutamate receptor 2 0.007 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0077 0.0093 0.0091
Brugia malayi jmjC domain containing protein 0.0058 0.0055 0.0037
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0146 0.0235 0.5
Echinococcus granulosus MAP kinase activated protein kinase 2 0.4854 1 1
Trypanosoma brucei poly(adp-ribose) polymerase 0.0077 0.0093 0.5
Loa Loa (eye worm) glutamate receptor 0.0084 0.0107 0.0105
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0055 0.0037
Brugia malayi Metabotropic glutamate receptor precursor. 0.0084 0.0107 0.0089
Schistosoma mansoni poly [ADP-ribose] polymerase 0.014 0.0224 0.0206
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0055 0.0031
Schistosoma mansoni microtubule-associated protein tau 0.0686 0.1357 0.1341
Brugia malayi WGR domain containing protein 0.0077 0.0093 0.0075
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0055 0.0053
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0103 0.0147 0.0147
Brugia malayi WGR domain containing protein 0.014 0.0224 0.0206
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.014 0.0224 0.5
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.4854 1 1
Echinococcus granulosus microtubule associated protein 2 0.0686 0.1357 0.1336
Echinococcus granulosus poly ADP ribose polymerase 1 0.014 0.0224 0.0201
Schistosoma mansoni serine/threonine protein kinase 0.4854 1 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0103 0.0147 0.0123
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0095 0.013 0.0113
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0077 0.0093 0.0093
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0055 0.0048 0.0046
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0055 0.0055
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0067 0.0071 0.0054
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0077 0.0093 0.5
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0077 0.0093 0.5
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.4854 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0686 0.1357 0.1357
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.014 0.0224 0.0224
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0055 0.0037
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0077 0.0093 0.0075

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 40 uM Antiinflammatory activity in neutophils assessed as inhibition of oxygen radical generation ChEMBL. 17197180
IC50 (functional) > 40 uM Antiinflammatory activity in neutorphil assessed as inhibition of fMLP induced elastase release ChEMBL. 17197180
IC50 (functional) > 100 uM Anticoagulant activity assessed as inhibition of arachidonic acid induced rabbit platelet aggregation ChEMBL. 17197180
IC50 (functional) > 100 uM Anticoagulant activity assessed as inhibition of thrombin induced rabbit platelet aggregation ChEMBL. 17197180

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

1 literature reference was collected for this gene.

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