Detailed information for compound 901204

Basic information

Technical information
  • TDR Targets ID: 901204
  • Name: 2-[2-bromo-4-[(E)-(1-methyl-2,4,6-trioxo-1,3- diazinan-5-ylidene)methyl]phenoxy]acetic acid
  • MW: 383.151 | Formula: C14H11BrN2O6
  • H donors: 2 H acceptors: 5 LogP: 1.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)C
  • InChi: 1S/C14H11BrN2O6/c1-17-13(21)8(12(20)16-14(17)22)4-7-2-3-10(9(15)5-7)23-6-11(18)19/h2-5H,6H2,1H3,(H,18,19)(H,16,20,22)/b8-4+
  • InChiKey: OHPHCCDAEWCJFX-XBXARRHUSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-bromo-4-[(E)-(1-methyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetic acid
  • 2-[2-bromo-4-[(E)-(1-methyl-2,4,6-trioxo-5-hexahydropyrimidinylidene)methyl]phenoxy]acetic acid
  • 2-[2-bromo-4-[(E)-(2,4,6-triketo-1-methyl-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetic acid
  • 2-[2-bromo-4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]ethanoic acid
  • STK176735

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 voltage-gated potassium channel 0.0044 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.1278 0.6801 0.6801
Leishmania major hexokinase, putative 0.1874 1 0.5
Onchocerca volvulus 0.1874 1 1
Entamoeba histolytica hexokinase 1 0.1874 1 0.5
Loa Loa (eye worm) hexokinase 0.1176 0.625 0.625
Loa Loa (eye worm) hexokinase 0.1874 1 1
Echinococcus multilocularis hexokinase 0.1874 1 1
Echinococcus granulosus hexokinase 0.1874 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.004 0.0154 0.0154
Schistosoma mansoni hexokinase 0.1874 1 1
Trypanosoma brucei hexokinase, putative 0.1874 1 0.5
Echinococcus multilocularis hexokinase 0.1874 1 1
Plasmodium vivax hexokinase, putative 0.1874 1 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.004 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0596 0.3137 0.3137
Loa Loa (eye worm) hexokinase 0.058 0.3051 0.3051
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0174 0.0174
Entamoeba histolytica hexokinase 2 0.1874 1 0.5
Brugia malayi Hexokinase family protein 0.1176 0.625 0.625
Toxoplasma gondii hexokinase 0.1874 1 0.5
Trypanosoma cruzi hexokinase, putative 0.1874 1 0.5
Leishmania major hexokinase, putative 0.1874 1 0.5
Echinococcus granulosus hexokinase 0.1874 1 1
Echinococcus granulosus hexokinase 0.1874 1 1
Echinococcus multilocularis hexokinase 0.1874 1 1
Plasmodium falciparum hexokinase 0.1874 1 0.5
Echinococcus multilocularis hexokinase type 2 0.1874 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.014 0.5
Loa Loa (eye worm) hypothetical protein 0.0596 0.3137 0.3137
Loa Loa (eye worm) hypothetical protein 0.0035 0.0125 0.0125
Onchocerca volvulus 0.1874 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.004 0.0154 0.0154
Loa Loa (eye worm) hexokinase type II 0.1874 1 1
Trypanosoma brucei hexokinase 0.1874 1 0.5
Brugia malayi hexokinase type II 0.0596 0.3137 0.3137
Echinococcus granulosus hexokinase type 2 0.1874 1 1
Trypanosoma cruzi hexokinase, putative 0.1874 1 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.014 0.5
Trypanosoma brucei hexokinase 0.1874 1 0.5
Brugia malayi Hexokinase family protein 0.058 0.3051 0.3051
Onchocerca volvulus 0.1874 1 1
Treponema pallidum hexokinase (hxk) 0.1874 1 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.004 0.0154 0.0154
Brugia malayi Hexokinase family protein 0.1874 1 1
Loa Loa (eye worm) hexokinase 0.1874 1 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.

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