Detailed information for compound 110734

Basic information

Technical information
  • TDR Targets ID: 110734
  • Name: 2-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-4-ol
  • MW: 283.345 | Formula: C16H13NO2S
  • H donors: 1 H acceptors: 2 LogP: 4.23 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nc(c(s1)c1ccccc1)O
  • InChi: 1S/C16H13NO2S/c1-19-13-9-7-12(8-10-13)16-17-15(18)14(20-16)11-5-3-2-4-6-11/h2-10,18H,1H3
  • InChiKey: YQAKORGQQCUKEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-methoxyphenyl)-5-phenyl-thiazol-4-ol
  • 2-(4-methoxyphenyl)-5-phenyl-4-thiazolol
  • Oprea1_607545

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL References
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
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
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0331 1 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0285 0.8149 0.8149
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0331 1 0.5
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0331 1 0.5
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0331 1 0.5
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0331 1 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0331 1 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0331 1 0.5
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0331 1 0.5
Schistosoma mansoni lipoxygenase 0.0285 0.8149 0.8149
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0331 1 1
Loa Loa (eye worm) translation initiation factor 4E 0.0331 1 1
Onchocerca volvulus 0.0081 0 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0285 0.8149 0.8149
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0331 1 1
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0331 1 1
Schistosoma mansoni lipoxygenase 0.0199 0.472 0.472
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0331 1 0.5
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0331 1 0.5
Leishmania major eukaryotic translation initiation factor-like protein 0.0331 1 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0331 1 0.5
Leishmania major eukaryotic translation initiation factor-like 0.0331 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.37 uM In vitro inhibition of 5-lipoxygenase (5-lo) from the 20000 g supernatant of RBI-1 cells ChEMBL. 2066989
IC50 (binding) = 0.37 uM In vitro inhibition of 5-lipoxygenase (5-lo) from the 20000 g supernatant of RBI-1 cells ChEMBL. 2066989
IC50 (binding) = 0.45 uM Inhibition of 5-lipoxygenase (5-lo) in intact rat polymorphonuclear leukocyte RPMNL ChEMBL. 2066989
IC50 (binding) = 0.45 uM Inhibition of 5-lipoxygenase (5-lo) in intact rat polymorphonuclear leukocyte RPMNL ChEMBL. 2066989
IC50 (binding) = 2.4 uM The compound was tested for the inhibition of 5-lipoxygenase (5-lo) in human whole blood (HWBL) ChEMBL. 2066989
IC50 (binding) = 2.4 uM The compound was tested for the inhibition of 5-lipoxygenase (5-lo) in human whole blood (HWBL) ChEMBL. 2066989
Inhibition (binding) = 6 % The compound was tested for the in vitro inhibition of platelet 12-lipoxygenase at a concentration of 100 microM. ChEMBL. 2066989
Inhibition (binding) = 6 % The compound was tested for the in vitro inhibition of platelet 12-lipoxygenase at a concentration of 100 microM. ChEMBL. 2066989
Inhibition (binding) = 22 % The compound was tested for the in vitro inhibition of 15-lipoxygenase of soyabean at a concentration of 100 microM. ChEMBL. 2066989
Inhibition (binding) = 22 % The compound was tested for the in vitro inhibition of 15-lipoxygenase of soyabean at a concentration of 100 microM. ChEMBL. 2066989
Inhibition (binding) = 25 % The compound was tested for the in vitro inhibition of Prostaglandin G/H synthase of sheep seminal vesicle at a concentration of 100 microM. ChEMBL. 2066989
Inhibition (binding) = 25 % The compound was tested for the in vitro inhibition of Prostaglandin G/H synthase of sheep seminal vesicle at a concentration of 100 microM. ChEMBL. 2066989

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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