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

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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