Detailed information for compound 413181

Basic information

Technical information
  • TDR Targets ID: 413181
  • Name: 2-[[4-(4-chlorophenyl)pyridine-2-carbonyl]ami no]acetic acid
  • MW: 290.702 | Formula: C14H11ClN2O3
  • H donors: 2 H acceptors: 4 LogP: 2.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CNC(=O)c1nccc(c1)c1ccc(cc1)Cl
  • InChi: 1S/C14H11ClN2O3/c15-11-3-1-9(2-4-11)10-5-6-16-12(7-10)14(20)17-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
  • InChiKey: DICXMDAMUAXNLQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[[4-(4-chlorophenyl)-2-pyridyl]-oxomethyl]amino]acetic acid
  • 2-[[4-(4-chlorophenyl)pyridin-2-yl]carbonylamino]ethanoic acid
  • 2-[[4-(4-chlorophenyl)picolinoyl]amino]acetic acid

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
Onchocerca volvulus 0.0035 0 0.5
Entamoeba histolytica branched-chain amino acid aminotransferase, putative 0.0296 1 0.5
Mycobacterium tuberculosis Branched-chain amino acid transaminase IlvE 0.0296 1 1
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.0296 1 1
Toxoplasma gondii Branched-chain-amino-acid aminotransferase 0.0296 1 1
Giardia lamblia Branched-chain amino acid aminotransferase lateral transfer candidate 0.0296 1 1
Trypanosoma cruzi Aminotransferase class IV, putative 0.0085 0.1909 1
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.0296 1 1
Loa Loa (eye worm) branched-chain amino acid aminotransferase 0.0296 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3124 0.3124
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0 0.5
Mycobacterium leprae PROBABLE BRANCHED-CHAIN AMINO ACID TRANSAMINASE ILVE 0.0296 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0 0.5
Toxoplasma gondii hypothetical protein 0.0085 0.1909 0.1909
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.7268 0.7268
Leishmania major branched-chain amino acid aminotransferase, putative 0.0296 1 1
Trypanosoma brucei Aminotransferase class IV, putative 0.0085 0.1909 0.1909
Trichomonas vaginalis subgroup IIIi aminotransferase, putative 0.0296 1 1
Onchocerca volvulus 0.0035 0 0.5
Mycobacterium ulcerans 4-amino-4-deoxychorismate lyase 0.0085 0.1909 0.1909
Brugia malayi MH2 domain containing protein 0.0117 0.3124 0.3124
Trichomonas vaginalis branched-chain amino acid aminotransferase, putative 0.0296 1 1
Mycobacterium tuberculosis Probable amino acid aminotransferase 0.0085 0.1909 0.1909
Onchocerca volvulus 0.0035 0 0.5
Mycobacterium ulcerans branched-chain amino acid aminotransferase 0.0296 1 1
Leishmania major hypothetical protein, conserved 0.0085 0.1909 0.1909
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3124 0.3124
Plasmodium vivax aminodeoxychorismate lyase, putative 0.0085 0.1909 1
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.0296 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0 0.5
Plasmodium falciparum aminodeoxychorismate lyase 0.0085 0.1909 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of EGLN1 ChEMBL. 16908149
IC50 (binding) > 100 uM Inhibition of EGLN1 ChEMBL. 16908149

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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