Detailed information for compound 375910

Basic information

Technical information
  • TDR Targets ID: 375910
  • Name: (3Z,5E)-6-[4-(2-fluoroethoxy)-3-methoxyphenyl ]-4-hydroxyhexa-3,5-dien-2-one
  • MW: 280.291 | Formula: C15H17FO4
  • H donors: 1 H acceptors: 2 LogP: 2.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCOc1ccc(cc1OC)/C=C/C(=C/C(=O)C)/O
  • InChi: 1S/C15H17FO4/c1-11(17)9-13(18)5-3-12-4-6-14(20-8-7-16)15(10-12)19-2/h3-6,9-10,18H,7-8H2,1-2H3/b5-3+,13-9-
  • InChiKey: HFSWCIXSMPVPEG-JCOVUYQDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3Z,5E)-6-[4-(2-fluoroethoxy)-3-methoxy-phenyl]-4-hydroxy-hexa-3,5-dien-2-one
  • (3Z,5E)-6-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxy-2-hexa-3,5-dienone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens amyloid beta (A4) precursor protein Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131699 All targets in OG5_131699
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131699 All targets in OG5_131699
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131699 All targets in OG5_131699
Brugia malayi Amyloid A4 extracellular domain containing protein Get druggable targets OG5_131699 All targets in OG5_131699
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
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0332 0.0797 0.5
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0332 0.0797 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0332 0.0797 0.5
Plasmodium falciparum purine nucleoside phosphorylase 0.0332 0.0797 0.5
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0332 0.0797 0.5
Schistosoma mansoni uridine phosphorylase 0.2354 1 1
Mycobacterium leprae probable uridine phosphorylase 0.2354 1 1
Echinococcus multilocularis uridine phosphorylase 1 0.2354 1 1
Echinococcus granulosus uridine phosphorylase 1 0.2354 1 1
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0332 0.0797 0.5
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0332 0.0797 0.5
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0332 0.0797 0.5
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0332 0.0797 0.5
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0332 0.0797 0.5
Toxoplasma gondii Purine nucleoside phosphorylase 0.0332 0.0797 0.5
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0332 0.0797 0.5
Toxoplasma gondii phosphorylase family protein 0.0332 0.0797 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0332 0.0797 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Schistosoma mansoni uridine phosphorylase 0.2354 1 1
Leishmania major methylthioadenosine phosphorylase, putative 0.0332 0.0797 0.5
Giardia lamblia UPL-1 0.0332 0.0797 0.5
Entamoeba histolytica hypothetical protein 0.0332 0.0797 0.5
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0332 0.0797 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Leishmania major nucleoside phosphorylase-like protein 0.0332 0.0797 0.5
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0332 0.0797 0.5
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Loa Loa (eye worm) uridine phosphorylase 0.2354 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0332 0.0797 0.5
Loa Loa (eye worm) hypothetical protein 0.0291 0.0613 0.0613
Trichomonas vaginalis conserved hypothetical protein 0.0332 0.0797 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Toxoplasma gondii phosphorylase family protein 0.0332 0.0797 0.5
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0332 0.0797 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Mycobacterium tuberculosis Hypothetical protein 0.0332 0.0797 0.5
Trypanosoma brucei uridine phosphorylase 0.0332 0.0797 0.5
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0332 0.0797 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Chlamydia trachomatis AMP nucleosidase 0.0332 0.0797 0.5
Treponema pallidum uridine phosphorylase (udp) 0.0332 0.0797 0.5
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0332 0.0797 0.5
Treponema pallidum pfs protein (pfs) 0.0332 0.0797 0.5
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0332 0.0797 0.5
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0332 0.0797 0.0797
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0369 0.0969 0.0187

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 958.1 nM Displacement of [125I]IMPY from beta amyloid protein 40 ChEMBL. 17004725
Ki (binding) = 958.1 nM Displacement of [125I]IMPY from beta amyloid protein 40 ChEMBL. 17004725

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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