Detailed information for compound 79594

Basic information

Technical information
  • TDR Targets ID: 79594
  • Name: 2-[2-[4-(2-methylphenoxy)phenoxy]ethoxy]oxane
  • MW: 328.402 | Formula: C20H24O4
  • H donors: 0 H acceptors: 0 LogP: 4.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1Oc1ccc(cc1)OCCOC1CCCCO1
  • InChi: 1S/C20H24O4/c1-16-6-2-3-7-19(16)24-18-11-9-17(10-12-18)21-14-15-23-20-8-4-5-13-22-20/h2-3,6-7,9-12,20H,4-5,8,13-15H2,1H3
  • InChiKey: BFEMUCQPURIPIW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-[4-(2-methylphenoxy)phenoxy]ethoxy]tetrahydropyran

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
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0365 0.0437
Mycobacterium ulcerans hypothetical protein 0.0155 0.33 1
Leishmania major DNA polymerase eta, putative 0.0044 0.0601 0.0901
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0365 0.0548
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0536 0.0277
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.1189 0.1189
Brugia malayi Phosphoglycerate kinase 0.0083 0.1553 0.1553
Trypanosoma brucei phosphoglycerate kinase 0.0031 0.0282 0.0422
Schistosoma mansoni lozenge 0.0054 0.0856 0.1023
Echinococcus granulosus chromobox protein 1 0.0068 0.1189 0.1421
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0031 0.0282 0.0422
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.2966 0.3544
Loa Loa (eye worm) hypothetical protein 0.0038 0.0466 0.0466
Brugia malayi Phosphoglycerate kinase 0.0031 0.0282 0.0282
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0197 0.1269
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0031 0.0282 0.0422
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.021 0.1353
Schistosoma mansoni hypothetical protein 0.0365 0.8369 1
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0083 0.1553 0.4707
Chlamydia trachomatis phosphoglycerate kinase 0.0083 0.1553 0.5
Plasmodium falciparum phosphoglycerate kinase 0.0083 0.1553 0.3621
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0031 0.0282 0.0422
Echinococcus granulosus chromobox protein 1 0.0068 0.1189 0.1421
Echinococcus multilocularis DNA topoisomerase 1 0.0185 0.4027 0.4812
Schistosoma mansoni chromobox protein 0.0068 0.1189 0.1421
Schistosoma mansoni phosphoglycerate kinase 0.0083 0.1553 0.1856
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0149 0.0223
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0185 0.4027 0.6035
Giardia lamblia Phosphoglycerate kinase 0.0083 0.1553 1
Plasmodium vivax phosphoglycerate kinase, putative 0.0083 0.1553 0.3621
Schistosoma mansoni chromobox protein 0.0068 0.1189 0.1421
Brugia malayi RNA, U transporter 1 0.0097 0.1879 0.1879
Leishmania major phosphoglycerate kinase C, glycosomal 0.0083 0.1553 0.2327
Loa Loa (eye worm) DNA topoisomerase I 0.0185 0.4027 0.4027
Schistosoma mansoni DNA topoisomerase type I 0.0185 0.4027 0.4812
Entamoeba histolytica Ran family GTPase 0.0025 0.0149 0.0957
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0083 0.1553 0.5
Onchocerca volvulus 0.0433 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0267 0.0267
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0766 0.1148
Schistosoma mansoni phosphoglycerate kinase 0.0083 0.1553 0.1856
Schistosoma mansoni DNA topoisomerase type I 0.0185 0.4027 0.4812
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0551 0.3545
Echinococcus granulosus DNA topoisomerase 1 0.0185 0.4027 0.4812
Trichomonas vaginalis importin beta-1, putative 0.0028 0.021 0.1353
Echinococcus multilocularis snurportin 1 0.0363 0.8309 0.9928
Leishmania major DNA topoisomerase IB, large subunit 0.0185 0.4027 0.6035
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0551 0.1036
Mycobacterium ulcerans phosphoglycerate kinase 0.0083 0.1553 0.4707
Plasmodium vivax topoisomerase I, putative 0.0185 0.4027 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0031 0.0282 0.0422
Plasmodium vivax importin-beta 2, putative 0.0034 0.0365 0.0559
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0149 0.0223
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0365 0.0559
Loa Loa (eye worm) hypothetical protein 0.0433 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0363 0.8309 0.8309
Echinococcus multilocularis geminin 0.0365 0.8369 1
Treponema pallidum phosphoglycerate kinase 0.0083 0.1553 0.5
Toxoplasma gondii DNA topoisomerase I, putative 0.0185 0.4027 1
Schistosoma mansoni importin beta-1 0.0034 0.0365 0.0437
Entamoeba histolytica hypothetical protein 0.0028 0.021 0.1353
Echinococcus granulosus snurportin 1 0.0363 0.8309 0.9928
Brugia malayi chromobox protein homolog 3 0.0038 0.0466 0.0466
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0083 0.1553 0.2327
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0547 0.0819
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0083 0.1553 0.3621
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.2918 0.4373
Schistosoma mansoni hypothetical protein 0.0365 0.8369 1
Echinococcus granulosus dna polymerase eta 0.0044 0.0601 0.0718
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.2918 0.4373
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0551 0.1036
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0185 0.4027 0.6035
Loa Loa (eye worm) hypothetical protein 0.0433 1 1
Entamoeba histolytica phosphoglycerate kinase, putative 0.0083 0.1553 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0083 0.1553 0.2327
Schistosoma mansoni DNA polymerase eta 0.0044 0.0601 0.0718
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.2966 0.2966
Trichomonas vaginalis ran, putative 0.0025 0.0149 0.0957
Brugia malayi Importin beta-1 subunit 0.0034 0.0365 0.0365
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0149 0.0957
Echinococcus multilocularis phosphoglycerate kinase 1 0.0083 0.1553 0.1856
Echinococcus multilocularis chromobox protein 1 0.0068 0.1189 0.1421
Schistosoma mansoni DNA topoisomerase type I 0.0185 0.4027 0.4812
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0536 0.3453
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.6674 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0547 0.0819
Leishmania major DNA polymerase eta, putative 0.0031 0.0287 0.043
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0365 0.0548
Loa Loa (eye worm) acetyltransferase 0.0142 0.2966 0.2966
Leishmania major phosphoglycerate kinase B, cytosolic 0.0083 0.1553 0.2327
Echinococcus multilocularis dna polymerase eta 0.0044 0.0601 0.0718
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.6674 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0551 0.0658
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0601 0.0901
Echinococcus granulosus importin subunit beta 1 0.0034 0.0365 0.0437
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0601 0.0901
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0536 0.3453
Trypanosoma brucei phosphoglycerate kinase 0.0083 0.1553 0.2327
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0287 0.043
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.6674 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0466 0.3002
Schistosoma mansoni hypothetical protein 0.0363 0.8309 0.9928
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0287 0.0357
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0031 0.0282 0.0422
Plasmodium falciparum importin beta, putative 0.0034 0.0365 0.0559
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0083 0.1553 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0601 0.0601
Brugia malayi DNA topoisomerase I 0.0185 0.4027 0.4027
Loa Loa (eye worm) runx1 0.0054 0.0856 0.0856
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0149 0.0178
Leishmania major GTP-binding protein, putative 0.0025 0.0149 0.0223
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0149 0.0149
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.287 0.3429
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0467 0.3005
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0031 0.0282 0.0422
Schistosoma mansoni ran 0.0025 0.0149 0.0178
Brugia malayi Heterochromatin protein 1 0.0068 0.1189 0.1189
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0083 0.1553 1
Toxoplasma gondii hypothetical protein 0.0048 0.0694 0.1407
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0466 0.3002
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0149 0.0149
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0551 0.1036
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0149 0.0178
Trypanosoma brucei phosphoglycerate kinase 0.0083 0.1553 0.2327
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0547 0.0819
Plasmodium falciparum topoisomerase I 0.0185 0.4027 1
Echinococcus granulosus geminin 0.0365 0.8369 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0547 0.0819
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0083 0.1553 0.3621
Loa Loa (eye worm) hypothetical protein 0.0083 0.1553 0.1553
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1189 0.7656
Loa Loa (eye worm) hypothetical protein 0.0044 0.0601 0.0601
Schistosoma mansoni ran 0.0025 0.0149 0.0178
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.2966 0.3544
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0467 0.3005
Leishmania major importin beta-1 subunit, putative 0.0028 0.021 0.0315
Echinococcus multilocularis chromobox protein 1 0.0068 0.1189 0.1421
Echinococcus granulosus phosphoglycerate kinase 1 0.0083 0.1553 0.1856
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0149 0.0223
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0467 0.082
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.33 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.6674 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.021 0.0315
Loa Loa (eye worm) hypothetical protein 0.0034 0.0365 0.0365
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0083 0.1553 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.2918 0.4373
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0551 0.3545
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0466 0.0205
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0197 0.1269
Echinococcus multilocularis Protein lozenge 0.0054 0.0856 0.1023
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1189 0.7656
Trypanosoma brucei phosphoglycerate kinase, putative 0.0031 0.0282 0.0422
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.021 0.1353

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 143 uM 50% inhibitory concentration against the growth of Trypanosoma cruzi (Epimastigotes) ChEMBL. 10794699
IC50 (functional) = 143 uM 50% inhibitory concentration against the growth of Trypanosoma cruzi (Epimastigotes) ChEMBL. 10794699

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.