Detailed information for compound 874304

Basic information

Technical information
  • TDR Targets ID: 874304
  • Name: 3-(1,2-benzoxazol-3-ylmethyl)-1-(2-ethylpheny l)-1-methylurea
  • MW: 309.362 | Formula: C18H19N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1N(C(=O)NCc1noc2c1cccc2)C
  • InChi: 1S/C18H19N3O2/c1-3-13-8-4-6-10-16(13)21(2)18(22)19-12-15-14-9-5-7-11-17(14)23-20-15/h4-11H,3,12H2,1-2H3,(H,19,22)
  • InChiKey: ZEDBJIVQGGLYDH-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(1,2-benzoxazol-3-ylmethyl)-1-(2-ethylphenyl)-1-methyl-urea
  • 1-(2-ethylphenyl)-3-(indoxazen-3-ylmethyl)-1-methyl-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
Loa Loa (eye worm) histone deacetylase 7A 0.1139 0.9636 1
Schistosoma mansoni histone deacetylase hda2 0.1158 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0912 0.5229 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1027 0.7465 0.4686
Trichomonas vaginalis histone deacetylase, putative 0.0912 0.5229 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0912 0.5229 0.5
Plasmodium falciparum histone deacetylase, putative 0.1139 0.9636 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0912 0.5229 0.5
Echinococcus granulosus histone deacetylase 6 0.1139 0.9636 0.9237
Plasmodium vivax histone deacetylase, putative 0.1025 0.7435 0.5006
Schistosoma mansoni histone deacetylase 4 5 0.1139 0.9636 0.9237
Toxoplasma gondii histone deacetylase HDAC4 0.1025 0.7435 0.5006
Trypanosoma cruzi histone deacetylase, putative 0.1139 0.9636 1
Trichomonas vaginalis histone deacetylase, putative 0.0912 0.5229 0.5
Trypanosoma cruzi histone deacetylase, putative 0.1139 0.9636 1
Loa Loa (eye worm) histone deacetylase 11 0.1025 0.7435 0.7716
Trypanosoma cruzi histone deacetylase, putative 0.1139 0.9636 1
Trypanosoma brucei histone deacetylase, putative 0.1139 0.9636 1
Plasmodium vivax histone deacetylase 2, putative 0.1139 0.9636 1
Leishmania major histone deacetylase, putative 0.1139 0.9636 1
Echinococcus granulosus histone deacetylase 7 0.1139 0.9636 0.9237
Plasmodium vivax histone deacetylase, putative 0.1139 0.9636 1
Loa Loa (eye worm) hypothetical protein 0.0661 0.0364 0.0378
Loa Loa (eye worm) carboxylesterase 0.1027 0.7465 0.7746
Loa Loa (eye worm) acetylcholinesterase 1 0.1027 0.7465 0.7746
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0912 0.5229 0.5
Echinococcus granulosus histone deacetylase 6 0.1139 0.9636 0.9237
Trichomonas vaginalis histone deacetylase, putative 0.0912 0.5229 0.5
Echinococcus multilocularis histone deacetylase 6 0.1139 0.9636 0.9237
Trichomonas vaginalis histone deacetylase, putative 0.0912 0.5229 0.5
Giardia lamblia Histone deacetylase 0.0912 0.5229 0.5
Brugia malayi histone deacetylase 11 0.1025 0.7435 0.5006
Trypanosoma brucei histone deacetylase 3 0.1139 0.9636 1
Loa Loa (eye worm) hypothetical protein 0.1027 0.7465 0.7746
Echinococcus granulosus carboxylesterase 5A 0.1027 0.7465 0.4686
Echinococcus granulosus histone deacetylase 0.1139 0.9636 0.9237
Echinococcus multilocularis acetylcholinesterase 0.1027 0.7465 0.4686
Brugia malayi Histone deacetylase family protein 0.1139 0.9636 1
Loa Loa (eye worm) hypothetical protein 0.1027 0.7465 0.7746
Brugia malayi Carboxylesterase family protein 0.1027 0.7465 0.5073
Echinococcus multilocularis histone deacetylase 0.1139 0.9636 0.9237
Brugia malayi Histone deacetylase family protein 0.1139 0.9636 1
Plasmodium falciparum histone deacetylase 2 0.1139 0.9636 1
Toxoplasma gondii histone deacetylase HDAC1 0.1139 0.9636 1
Loa Loa (eye worm) histone deacetylase 1 0.0912 0.5229 0.5426
Brugia malayi Carboxylesterase family protein 0.1027 0.7465 0.5073
Loa Loa (eye worm) histone deacetylase 3 0.0912 0.5229 0.5426
Echinococcus multilocularis histone deacetylase 6 0.1158 1 1
Echinococcus granulosus acetylcholinesterase 0.1027 0.7465 0.4686
Trichomonas vaginalis histone deacetylase, putative 0.0912 0.5229 0.5
Schistosoma mansoni histone deacetylase 4 5 0.1139 0.9636 0.9237
Echinococcus multilocularis histone deacetylase 6 0.1139 0.9636 0.9237
Loa Loa (eye worm) hypothetical protein 0.0912 0.5229 0.5426
Trypanosoma brucei histone deacetylase 4 0.1139 0.9636 1
Echinococcus granulosus acetylcholinesterase 0.1027 0.7465 0.4686
Entamoeba histolytica histone deacetylase, putative 0.0912 0.5229 0.5
Echinococcus multilocularis carboxylesterase 5A 0.1027 0.7465 0.4686
Leishmania major histone deacetylase, putative 0.1139 0.9636 1
Echinococcus multilocularis acetylcholinesterase 0.1027 0.7465 0.4686
Echinococcus multilocularis histone deacetylase 7 0.1139 0.9636 0.9237
Loa Loa (eye worm) histone deacetylase 0.1139 0.9636 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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