Detailed information for compound 17051

Basic information

Technical information
  • TDR Targets ID: 17051
  • Name: 2-oxo-4-phenylbutanoic acid
  • MW: 178.185 | Formula: C10H10O3
  • H donors: 1 H acceptors: 3 LogP: 1.56 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)O)CCc1ccccc1
  • InChi: 1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
  • InChiKey: PPKAIMDMNWBOKN-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-oxo-4-phenyl-butanoic acid
  • 2-keto-4-phenyl-butyric acid
  • 710-11-2
  • GL-0706
  • 2-Oxo-4-phenylbutyric acid
  • EINECS 211-916-7
  • AIDS-189857
  • AIDS189857
  • Benzenebutanoic acid, alpha-oxo-

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
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0781 0.4005 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0174 0.0283 0.0283
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.1759 1 1
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0475 0.2131 0.2131
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0781 0.4005 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0475 0.2131 0.2131
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0781 0.4005 1
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0781 0.4005 0.5
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0781 0.4005 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0781 0.4005 0.4005
Brugia malayi hypothetical protein 0.0349 0.1356 0.3386
Brugia malayi hypoxia-induced factor 1 0.0322 0.119 0.2972
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0781 0.4005 0.5
Loa Loa (eye worm) hypoxia-induced factor 1 0.0322 0.119 0.2972
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0781 0.4005 1
Loa Loa (eye worm) hypothetical protein 0.0349 0.1356 0.3386
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0781 0.4005 0.5
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0781 0.4005 0.4005
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0781 0.4005 1
Mycobacterium ulcerans proteasome PrcA 0.1759 1 1
Treponema pallidum nitrogen fixation protein (rnfC) 0.0174 0.0283 0.5
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0781 0.4005 1
Schistosoma mansoni hypothetical protein 0.0475 0.2131 0.532
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0781 0.4005 0.5
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0781 0.4005 0.5
Mycobacterium ulcerans membrane protein ComEA 0.0174 0.0283 0.0283
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0781 0.4005 0.5
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0419 0.1783 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 50 uM Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B ChEMBL. 14695815
IC50 (binding) > 50 uM Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B ChEMBL. 14695815
IC50 (functional) > 500 uM Inhibitory concentration in cap-dependent RNA polymerase assay with influenza A polymerase ChEMBL. 12646026
IC50 (functional) > 500 uM Inhibitory concentration in cap-dependent RNA polymerase assay with influenza A polymerase ChEMBL. 12646026
IC50 (binding) > 500 uM Inhibition of cap 1 ALMV primed Influenza transcriptase ChEMBL. 7695269

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

2 literature references were collected for this gene.

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