Detailed information for compound 437688

Basic information

Technical information
  • TDR Targets ID: 437688
  • Name: 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benz oxazole
  • MW: 273.714 | Formula: C15H12ClNO2
  • H donors: 0 H acceptors: 1 LogP: 4.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)OCc1nc2c(o1)ccc(c2)C
  • InChi: 1S/C15H12ClNO2/c1-10-2-7-14-13(8-10)17-15(19-14)9-18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
  • InChiKey: XAUDMOLQHOQJIW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0119 0.9815 1
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0119 0.9815 1
Echinococcus granulosus Glutaredoxin protein 5 0.002 0.0759 0.0773
Trichomonas vaginalis AGC family protein kinase 0.0034 0.2031 0.2069
Entamoeba histolytica protein kinase, putative 0.0034 0.2031 0.2031
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.002 0.0759 0.0773
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.002 0.0759 0.0773
Echinococcus multilocularis nervana 2 0.002 0.0759 0.0773
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0119 0.9815 1
Giardia lamblia Kinase, AGC PKA 0.0119 0.9815 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0024 0.1089 0.0207
Trichomonas vaginalis AGC family protein kinase 0.0034 0.2031 0.2069
Entamoeba histolytica PH domain containing protein kinase, putative 0.0024 0.1089 0.1089
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0119 0.9815 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0119 0.9815 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0024 0.1089 0.1089
Entamoeba histolytica protein kinase, putative 0.0034 0.2031 0.2031
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0119 0.9815 1
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0119 0.9815 1
Echinococcus multilocularis nervana 2 0.002 0.0759 0.0773
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0117 0.967 0.9852
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0119 0.9815 1
Echinococcus granulosus nervana 2 0.002 0.0759 0.0773
Entamoeba histolytica protein kinase 2, putative 0.0022 0.0904 0.0904
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0119 0.9815 1
Leishmania major protein kinase A catalytic subunit isoform 1 0.0119 0.9815 0.5
Echinococcus multilocularis rac serine:threonine kinase 0.0024 0.1089 0.111
Trichomonas vaginalis AGC family protein kinase 0.0034 0.2031 0.2069
Leishmania major protein kinase A catalytic subunit isoform 2 0.0119 0.9815 0.5
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0185 0.0188
Brugia malayi Protein kinase domain containing protein 0.0034 0.2031 0.2069
Loa Loa (eye worm) AGC/PKA protein kinase 0.0119 0.9815 1
Schistosoma mansoni serine/threonine protein kinase 0.0119 0.9815 1
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0119 0.9815 1
Echinococcus multilocularis Glutaredoxin protein 5 0.002 0.0759 0.0773
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0119 0.9815 1
Trichomonas vaginalis AGC family protein kinase 0.0034 0.2031 0.2069
Trichomonas vaginalis AGC family protein kinase 0.0034 0.2031 0.2069
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0119 0.9815 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.9815 1
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0119 0.9815 1
Echinococcus granulosus nervana 2 0.002 0.0759 0.0773
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0119 0.9815 1
Entamoeba histolytica protein kinase, putative 0.0032 0.1846 0.1846
Toxoplasma gondii AGC kinase 0.0119 0.9815 1
Toxoplasma gondii AGC kinase 0.0119 0.9815 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0022 0.0904 0.0921
Echinococcus granulosus serine/threonine protein kinase 0.0024 0.1089 0.111
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0022 0.0904 0.0921
Schistosoma mansoni serine/threonine-protein kinase 0.0024 0.1089 0.111
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0022 0.0904 0.0921
Loa Loa (eye worm) AGC/PKA protein kinase 0.0119 0.9815 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0119 0.9815 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0034 0.2031 0.2069
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0119 0.9815 1
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0117 0.967 0.9852
Trichomonas vaginalis AGC family protein kinase 0.0034 0.2031 0.2069
Schistosoma mansoni serine/threonine protein kinase 0.0119 0.9815 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0032 0.1846 0.1881
Schistosoma mansoni serine/threonine-protein kinase 0.0024 0.1089 0.111
Schistosoma mansoni serine/threonine protein kinase 0.0119 0.9815 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0119 0.9815 1
Leishmania major protein kinase A catalytic subunit 0.0119 0.9815 0.5
Trypanosoma cruzi Protein kinase B 0.0024 0.1089 0.0207
Trichomonas vaginalis AGC family protein kinase 0.0119 0.9815 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0119 0.9815 1
Trichomonas vaginalis AGC family protein kinase 0.0034 0.2031 0.2069
Brugia malayi p70 ribosomal S6 kinase beta 0.0032 0.1846 0.1881
Entamoeba histolytica PH domain containing protein kinase, putative 0.0121 1 1

Activities

Activity type Activity value Assay description Source Reference
-Log MIC (functional) = 3.738 Antifungal activity against Candida albicans by serial dilution method ChEMBL. 17296301
MIC (functional) = 3.738 Antifungal activity against Candida albicans by serial dilution method ChEMBL. 17296301

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.