Detailed information for compound 286812

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 284.231 | Formula: C14H11F3O3
  • H donors: 0 H acceptors: 3 LogP: 2.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCC(=O)C1C(=O)c1ccccc1C(F)(F)F
  • InChi: 1S/C14H11F3O3/c15-14(16,17)9-5-2-1-4-8(9)13(20)12-10(18)6-3-7-11(12)19/h1-2,4-5,12H,3,6-7H2
  • InChiKey: WZESJOSMFYMQSR-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa 4-hydroxyphenylpyruvate dioxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) 4-hydroxyphenylpyruvate dioxygenase Get druggable targets OG5_129448 All targets in OG5_129448
Brugia malayi 4-hydroxyphenylpyruvate dioxygenase family protein Get druggable targets OG5_129448 All targets in OG5_129448
Candida albicans similar to HPPD a 4-hydroxyphenylpyruvate dioxygenase Get druggable targets OG5_129448 All targets in OG5_129448
Onchocerca volvulus Putative protein Get druggable targets OG5_129448 All targets in OG5_129448
Candida albicans similar to HPPD a 4-hydroxyphenylpyruvate dioxygenase Get druggable targets OG5_129448 All targets in OG5_129448

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 3 oxoacyl acyl carrier protein synthase 0.0064 0.0185 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.062 1 1
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0064 0.0185 1
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.062 1 1
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0064 0.0185 1
Entamoeba histolytica fatty acid elongase, putative 0.0081 0.0473 0.5
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0064 0.0185 0.0335
Trichomonas vaginalis conserved hypothetical protein 0.0054 0 0.5
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0064 0.0185 0.0185
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0064 0.0185 1
Brugia malayi 4-hydroxyphenylpyruvate dioxygenase family protein 0.0366 0.5517 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0064 0.0185 0.0335
Mycobacterium leprae conserved hypothetical protein 0.0054 0 0.5
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0064 0.0185 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.062 1 1
Entamoeba histolytica fatty acid elongase, putative 0.0081 0.0473 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.062 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0 0.5
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0064 0.0185 0.0185
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0064 0.0185 1
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0064 0.0185 0.0185
Entamoeba histolytica fatty acid elongase, putative 0.0081 0.0473 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0081 0.0473 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.062 1 1
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0064 0.0185 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.062 1 1
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.062 1 1
Loa Loa (eye worm) 4-hydroxyphenylpyruvate dioxygenase 0.0366 0.5517 1
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0064 0.0185 0.0185
Onchocerca volvulus Putative protein 0.0366 0.5517 1
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0064 0.0185 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0081 0.0473 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.25 uM Inhibition of 4-hydroxyphenylpyruvate dioxygenase of purified pig liver by enol-borate method ChEMBL. 10853644
IC50 (binding) = 0.25 uM Inhibition of 4-hydroxyphenylpyruvate dioxygenase of purified pig liver by enol-borate method ChEMBL. 10853644

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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