Detailed information for compound 130838

Basic information

Technical information
  • TDR Targets ID: 130838
  • Name: 1-[[4-[2-(2-hexyl-5-methyl-1,3-oxazol-4-yl)et hoxy]phenyl]methyl]-1-hydroxyurea
  • MW: 375.462 | Formula: C20H29N3O4
  • H donors: 2 H acceptors: 3 LogP: 3.75 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCc1oc(c(n1)CCOc1ccc(cc1)CN(C(=O)N)O)C
  • InChi: 1S/C20H29N3O4/c1-3-4-5-6-7-19-22-18(15(2)27-19)12-13-26-17-10-8-16(9-11-17)14-23(25)20(21)24/h8-11,25H,3-7,12-14H2,1-2H3,(H2,21,24)
  • InChiKey: RJRARJGYZIDPDL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[4-[2-(2-hexyl-5-methyl-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxy-urea
  • 1-[[4-[2-(2-hexyl-5-methyl-4-oxazolyl)ethoxy]phenyl]methyl]-1-hydroxyurea
  • 1-[[4-[2-(2-hexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxy-urea
  • 1-[4-[2-(2-hexyl-5-methyl-oxazol-4-yl)ethoxy]benzyl]-1-hydroxy-urea

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Toxoplasma gondii fructose-bisphospatase II 0.171 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0017 0.0017
Brugia malayi Cytochrome P450 family protein 0.0026 0.006 0.006
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0017 0.5
Trypanosoma brucei fructose-1,6-bisphosphatase 0.171 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0017 0.5
Schistosoma mansoni hypothetical protein 0.0166 0.0887 0.0871
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0017 0.5
Leishmania major 0.171 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0017 0.5
Echinococcus multilocularis geminin 0.0166 0.0887 0.0871
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0017 0.0017
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.171 1 1
Schistosoma mansoni hypothetical protein 0.0166 0.0887 0.0871
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0017 0.5
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0636 0.3661 0.3661
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0017 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0017 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0636 0.3661 0.3661
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0017 0.0017
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0017 0.5
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0636 0.3661 0.3661
Echinococcus granulosus fructose 16 bisphosphatase 1 0.171 1 1
Toxoplasma gondii fructose-bisphospatase I 0.0636 0.3661 0.365
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0017 0.5
Echinococcus granulosus geminin 0.0166 0.0887 0.0871
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0017 0.0017
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.171 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0017 0.5
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0636 0.3661 0.365
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.171 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0017 0.0017
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.006 0.006
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.171 1 1
Schistosoma mansoni fructose-16-bisphosphatase-related 0.171 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0017 0.0017

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 44 % Inhibition of LTB4 biosynthesis at 1 microM, in calcium ionophore-stimulated human whole blood leukocyte (HBL) assay. ChEMBL. 8568813
Inhibition (functional) = 44 % Inhibition of LTB4 biosynthesis at 1 microM, in calcium ionophore-stimulated human whole blood leukocyte (HBL) assay. ChEMBL. 8568813

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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