Detailed information for compound 571202

Basic information

Technical information
  • TDR Targets ID: 571202
  • Name: 1,3-bis(4-methylphenoxy)propan-2-one
  • MW: 270.323 | Formula: C17H18O3
  • H donors: 0 H acceptors: 1 LogP: 4.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc(cc1)C)COc1ccc(cc1)C
  • InChi: 1S/C17H18O3/c1-13-3-7-16(8-4-13)19-11-15(18)12-20-17-9-5-14(2)6-10-17/h3-10H,11-12H2,1-2H3
  • InChiKey: KCGMANGQBSTINW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,3-bis(4-methylphenoxy)-2-propanone
  • 1,3-bis(4-methylphenoxy)acetone
  • 57641-25-5
  • 1,3-Bis(p-methylphenoxy)-2-propanone
  • 2-Propanone, 1,3-bis(4-methylphenoxy)- (9CI)
  • 2-Propanone, 1,3-bis(p-methylphenoxy)-
  • BRN 1988973

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) hypothetical protein 0.0105 0.197 0.8641
Echinococcus granulosus glutamate receptor 2 0.0054 0.0183 0.0225
Loa Loa (eye worm) hypothetical protein 0.0114 0.228 1
Echinococcus multilocularis glutamate receptor 2 0.0054 0.0183 0.0225
Echinococcus multilocularis glutamate receptor NMDA 0.0257 0.7284 0.8961
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0078 0.1028 0.1265
Brugia malayi Glutamate receptor 2 precursor 0.0065 0.0595 0.261
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0114 0.228 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0048 0 0.5
Schistosoma mansoni ATP-binding cassette transporter 0.0065 0.0595 0.0595
Brugia malayi Glutamate receptor 1 precursor 0.0065 0.0595 0.261
Onchocerca volvulus 0.0114 0.228 1
Schistosoma mansoni glutamate receptor kainate 0.0065 0.0595 0.0595
Echinococcus multilocularis nmda type glutamate receptor 0.0269 0.7717 0.9493
Loa Loa (eye worm) hypothetical protein 0.0114 0.228 1
Echinococcus granulosus nmda type glutamate receptor 0.0269 0.7717 0.9493
Echinococcus granulosus glutamate receptor NMDA 0.0257 0.7284 0.8961
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0078 0.1028 0.1265
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0065 0.0595 0.0732
Onchocerca volvulus 0.0114 0.228 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0048 0 0.5
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0114 0.228 1
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0114 0.228 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0114 0.228 1
Plasmodium falciparum glycogen synthase kinase 3 0.0048 0 0.5
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0078 0.1028 0.1265
Onchocerca volvulus 0.0114 0.228 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0048 0 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0281 0.8129 1
Trichomonas vaginalis cdc25b, putative 0.0114 0.228 1
Brugia malayi Rhodanese-like domain containing protein 0.0114 0.228 1
Echinococcus multilocularis nmda type glutamate receptor 0.0281 0.8129 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0078 0.1028 0.1265
Schistosoma mansoni glutamate receptor kainate 0.0065 0.0595 0.0595
Entamoeba histolytica rodhanase-like domain containing protein 0.0114 0.228 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0078 0.1028 0.1265
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0078 0.1028 0.1265
Trichomonas vaginalis cdc25b, putative 0.0114 0.228 1
Echinococcus multilocularis glutamate receptor 2 0.0078 0.1028 0.1265
Schistosoma mansoni glutamate receptor NMDA 0.0065 0.0595 0.0595
Giardia lamblia Kinase, CMGC GSK 0.0048 0 0.5
Trypanosoma brucei protein kinase, putative 0.0048 0 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0065 0.0595 0.0595
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0114 0.228 1
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0114 0.228 0.2805
Echinococcus multilocularis glutamate receptor 2 0.0065 0.0595 0.0732
Loa Loa (eye worm) glutamate receptor 1 0.0065 0.0595 0.261
Trichomonas vaginalis cdc25c, putative 0.0114 0.228 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0065 0.0595 0.0732
Entamoeba histolytica rodhanase-like domain containing protein 0.0114 0.228 1
Brugia malayi Rhodanese-like domain containing protein 0.0114 0.228 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0048 0 0.5
Giardia lamblia Kinase, CMGC GSK 0.0048 0 0.5
Schistosoma mansoni glutamate receptor kainate 0.0065 0.0595 0.0595
Echinococcus granulosus glutamate receptor 2 0.0078 0.1028 0.1265
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0114 0.228 0.2805
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0078 0.1028 0.1265
Loa Loa (eye worm) glutamate receptor 2 0.0065 0.0595 0.261
Loa Loa (eye worm) hypothetical protein 0.0105 0.197 0.8641
Schistosoma mansoni glutamate receptor AMPA 0.0065 0.0595 0.0595
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0114 0.228 0.228
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0078 0.1028 0.1265
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0114 0.228 1
Onchocerca volvulus 0.0114 0.228 1

Activities

Activity type Activity value Assay description Source Reference
LD50 (ADMET) = 1.5 g/Kg Toxicity in ip dosed CF1 mouse assessed as animal death ChEMBL. 1249803

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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