Detailed information for compound 163430

Basic information

Technical information
  • TDR Targets ID: 163430
  • Name: 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic ac id
  • MW: 212.174 | Formula: C10H9FO4
  • H donors: 2 H acceptors: 4 LogP: 0.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(CC(=O)c1cccc(c1)F)O
  • InChi: 1S/C10H9FO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
  • InChiKey: SFWCQBYQQBNAPI-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(3-fluorophenyl)-2-hydroxy-4-oxo-butanoic acid
  • 4-(3-fluorophenyl)-2-hydroxy-4-keto-butyric acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Kynurenine 3-monooxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans potential monooxygenase similar to S. cerevisiae BNA4 (YBL098W) kynurenine 3-monooxygenase, biosynthesis of Nicotinic Acid Get druggable targets OG5_129812 All targets in OG5_129812
Candida albicans potential monooxygenase similar to S. cerevisiae BNA4 (YBL098W) kynurenine 3-monooxygenase, biosynthesis of Nicotinic Acid Get druggable targets OG5_129812 All targets in OG5_129812

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 DNA apurinic or apyrimidinic site lyase 0.0018 0.3356 0.374
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.3356 0.5
Schistosoma mansoni voltage-gated potassium channel 0.004 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0018 0.3365 1
Chlamydia trachomatis monooxygenase 0.0018 0.3365 0.5
Schistosoma mansoni ap endonuclease 0.0018 0.3356 0.3356
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.3356 0.374
Echinococcus granulosus protein MICAL 3 0.0018 0.3365 0.3751
Plasmodium vivax FAD-dependent monooxygenase, putative 0.0018 0.3365 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.8236 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.8972 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0018 0.3365 1
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.3365 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.8972 1
Mycobacterium ulcerans oxidoreductase GMC-type 0.0018 0.3365 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.8972 1
Mycobacterium leprae possibleputative FAD-linked oxidoreductase 0.0018 0.3365 0.5
Trypanosoma brucei kynurenine 3-monooxygenase, putative 0.0018 0.3365 1
Mycobacterium ulcerans membrane-associated oxidoreductase 0.0018 0.3365 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.8236 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0018 0.3365 1
Mycobacterium ulcerans oxidoreductase 0.0018 0.3365 1
Schistosoma mansoni hypothetical protein 0.0018 0.3365 0.3365
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0018 0.3365 1
Echinococcus multilocularis protein MICAL 3 0.0018 0.3365 0.3751
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.1028 0.1145
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.1028 0.1145
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.3356 0.4075
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.3356 0.4075
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.3356 0.374
Toxoplasma gondii FAD binding domain-containing protein 0.0018 0.3365 1
Schistosoma mansoni monoxygenase 0.0018 0.3365 0.3365
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.8972 1
Toxoplasma gondii FAD binding domain-containing protein 0.0018 0.3365 1
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.1028 0.1028
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.1028 0.1028
Mycobacterium ulcerans hypothetical protein 0.0018 0.3365 1
Schistosoma mansoni ap endonuclease 0.0018 0.3356 0.3356
Mycobacterium tuberculosis Possible oxidoreductase 0.0018 0.3365 1
Echinococcus granulosus ubiquinone biosynthesis monooxygenase COQ6 0.0018 0.3365 0.3751
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.3356 0.374
Mycobacterium ulcerans hypothetical protein 0.0018 0.3365 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.1028 0.1145
Mycobacterium ulcerans FAD-linked oxidoreductase 0.0018 0.3365 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.3356 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.3365 0.3751
Echinococcus multilocularis ubiquinone biosynthesis monooxygenase COQ6 0.0018 0.3365 0.3751
Echinococcus granulosus voltage gated potassium channel 0.0011 0.1028 0.1145
Plasmodium falciparum FAD-dependent monooxygenase, putative 0.0018 0.3365 1
Plasmodium vivax hypothetical protein, conserved 0.0018 0.3365 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.3356 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.1028 0.1145
Mycobacterium ulcerans hypothetical protein 0.0018 0.3365 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.7495 0.8354
Trypanosoma brucei Monooxygenase, putative 0.0018 0.3365 1
Leishmania major hypothetical protein, conserved 0.0018 0.3365 1
Mycobacterium ulcerans oxidoreductase 0.0018 0.3365 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0018 0.3365 1
Leishmania major hypothetical protein, conserved 0.0018 0.3365 1
Trypanosoma cruzi Monooxygenase, putative 0.0018 0.3365 1
Mycobacterium ulcerans FAD-dependent oxidoreductase 0.0018 0.3365 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.1028 0.1145

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.6 uM Inhibition of rat brain KYN 3-OHase. ChEMBL. 9873646
IC50 (binding) = 5.6 uM Inhibition of rat brain KYN 3-OHase. ChEMBL. 9873646
IC50 (binding) = 9.1 uM Inhibition of rat liver KYN 3-OHase. ChEMBL. 9873646
IC50 (binding) = 9.1 uM Inhibition of rat liver KYN 3-OHase. ChEMBL. 9873646

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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