Detailed information for compound 765250

Basic information

Technical information
  • TDR Targets ID: 765250
  • Name: 2-[[4-[[4-(1,3-benzoxazol-2-yl)phenyl]amino]- 6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol
  • MW: 392.411 | Formula: C20H20N6O3
  • H donors: 3 H acceptors: 5 LogP: 3.66 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNc1nc(Nc2ccc(cc2)c2nc3c(o2)cccc3)nc(n1)OCC
  • InChi: 1S/C20H20N6O3/c1-2-28-20-25-18(21-11-12-27)24-19(26-20)22-14-9-7-13(8-10-14)17-23-15-5-3-4-6-16(15)29-17/h3-10,27H,2,11-12H2,1H3,(H2,21,22,24,25,26)
  • InChiKey: XVOJCKVKWLMJDI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-[[4-(1,3-benzoxazol-2-yl)phenyl]amino]-6-ethoxy-s-triazin-2-yl]amino]ethanol

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
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3013 0.3096
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.3013 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.024 0.0797
Echinococcus granulosus geminin 0.0171 0.9733 1
Loa Loa (eye worm) hypothetical protein 0.005 0.2158 0.7163
Plasmodium vivax heat shock protein 86, putative 0.0046 0.1903 0.1704
Toxoplasma gondii heat shock protein HSP90 0.0046 0.1903 0.1704
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.1903 1
Trypanosoma brucei heat shock protein, putative 0.0046 0.1903 1
Echinococcus multilocularis heat shock protein 90 0.004 0.1484 0.1524
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3013 0.3096
Schistosoma mansoni endoplasmin 0.0046 0.1903 0.1955
Echinococcus multilocularis tar DNA binding protein 0.0064 0.3013 0.3096
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.024 0.0247
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.024 0.0247
Giardia lamblia Heat shock protein HSP 90-alpha 0.0046 0.1903 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1159 0.3848
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2158 0.7163
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0043 0.1725 0.5
Schistosoma mansoni heat shock protein 0.0046 0.1903 0.1955
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Trypanosoma cruzi heat shock protein 85, putative 0.004 0.1484 0.7515
Trypanosoma brucei heat shock protein, putative 0.0046 0.1903 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0031 0.0929 0.0954
Echinococcus granulosus endoplasmin 0.0043 0.1725 0.1772
Plasmodium vivax heat shock protein 90, putative 0.0031 0.0929 0.0706
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2158 0.7163
Trypanosoma brucei heat shock protein 84, putative 0.0031 0.0929 0.4142
Trypanosoma brucei heat shock protein, putative 0.0046 0.1903 1
Trichomonas vaginalis heat shock protein, putative 0.004 0.1484 0.7479
Brugia malayi heat shock protein 90 0.0046 0.1903 0.6316
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3013 0.3096
Trypanosoma brucei heat shock protein, putative 0.0046 0.1903 1
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.024 0.0143
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3013 0.3096
Giardia lamblia Heat shock protein HSP 90-alpha 0.004 0.1484 0.7479
Schistosoma mansoni ap endonuclease 0.002 0.024 0.0247
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Schistosoma mansoni hypothetical protein 0.0171 0.9733 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0046 0.1903 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1159 0.3848
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.024 0.0143
Plasmodium vivax heat shock protein, putative 0.0175 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2158 0.7163
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.1903 1
Plasmodium falciparum endoplasmin, putative 0.0034 0.1107 0.0888
Trichomonas vaginalis heat shock protein, putative 0.0043 0.1725 0.8928
Trypanosoma brucei heat shock protein, putative 0.0046 0.1903 1
Brugia malayi Endoplasmin precursor 0.0046 0.1903 0.6316
Brugia malayi TAR-binding protein 0.0064 0.3013 1
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Echinococcus multilocularis endoplasmin 0.0043 0.1725 0.1772
Loa Loa (eye worm) heat shock protein 75 0.0031 0.0929 0.3083
Trypanosoma cruzi heat shock protein 90, putative 0.0046 0.1903 1
Schistosoma mansoni heat shock protein 0.0031 0.0929 0.0954
Mycobacterium ulcerans heat shock protein 90 0.0043 0.1725 1
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Trichomonas vaginalis heat shock protein, putative 0.0043 0.1725 0.8928
Trypanosoma cruzi heat shock protein, putative 0.0031 0.0929 0.4226
Echinococcus multilocularis heat shock protein 0.0046 0.1903 0.1955
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.3013 1
Loa Loa (eye worm) endoplasmin 0.0046 0.1903 0.6316
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Trichomonas vaginalis heat shock protein, putative 0.0034 0.1107 0.5214
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.1903 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0031 0.0929 0.5
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.1903 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0175 1 1
Brugia malayi RNA binding protein 0.0064 0.3013 1
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Echinococcus multilocularis heat shock protein 90 0.0046 0.1903 0.1955
Schistosoma mansoni endoplasmin 0.0046 0.1903 0.1955
Schistosoma mansoni hypothetical protein 0.0171 0.9733 1
Trypanosoma brucei heat shock protein, putative 0.0046 0.1903 1
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Plasmodium falciparum heat shock protein 90, putative 0.0027 0.0688 0.0459
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0043 0.1725 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.004 0.1484 0.1524
Trichomonas vaginalis heat shock protein, putative 0.0046 0.1903 1
Echinococcus granulosus heat shock protein 90 0.0046 0.1903 0.1955
Leishmania major heat shock protein, putative 0.0031 0.0929 0.4142
Echinococcus granulosus heat shock protein 90 0.004 0.1484 0.1524
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.024 0.0797
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0043 0.1725 0.8928
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0031 0.0929 0.4142
Loa Loa (eye worm) TAR-binding protein 0.0064 0.3013 1
Trypanosoma brucei heat shock protein, putative 0.0046 0.1903 1
Trichomonas vaginalis endoplasmin, putative 0.0034 0.1107 0.5214
Echinococcus granulosus heat shock protein 0.0046 0.1903 0.1955
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.1903 1
Trypanosoma brucei Heat shock protein 83, putative 0.0046 0.1903 1
Plasmodium vivax endoplasmin, putative 0.0046 0.1903 0.1704
Echinococcus multilocularis geminin 0.0171 0.9733 1
Trypanosoma brucei heat shock protein, putative 0.0046 0.1903 1
Toxoplasma gondii heat shock protein 75, putative 0.0031 0.0929 0.0706
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0688 0.2693
Brugia malayi Hsp90 protein 0.0031 0.0929 0.3083
Treponema pallidum heat shock protein 90 0.0043 0.1725 1
Schistosoma mansoni ap endonuclease 0.002 0.024 0.0247
Toxoplasma gondii heat shock protein 90, putative 0.0046 0.1903 0.1704
Loa Loa (eye worm) RNA binding protein 0.0064 0.3013 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0043 0.1725 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3013 0.3096
Giardia lamblia Grp94/Hsp90 0.0043 0.1725 0.8928
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0031 0.0929 0.0954
Schistosoma mansoni heat shock protein 0.0046 0.1903 0.1955
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.1903 1
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Plasmodium falciparum heat shock protein 90 0.0046 0.1903 0.1704
Trypanosoma cruzi heat shock protein 90, putative 0.004 0.1484 0.7515
Loa Loa (eye worm) heat shock protein 90 0.0046 0.1903 0.6316
Echinococcus granulosus tar DNA binding protein 0.0064 0.3013 0.3096
Leishmania major heat shock protein 83-1 0.0046 0.1903 1
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.1903 1
Schistosoma mansoni hypothetical protein 0.0034 0.1159 0.1191

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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