Detailed information for compound 1826195

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 525.722 | Formula: C25H52NO6PS
  • H donors: 0 H acceptors: 2 LogP: 7.15 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC[N+](C)(C)C)[S-])OC
  • InChi: 1S/C25H52NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)30-22-24(29-5)23-32-33(28,34)31-21-20-26(2,3)4/h24H,6-23H2,1-5H3
  • InChiKey: ILQRNAKHRNQNMZ-UHFFFAOYSA-N  

Network

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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
Echinococcus multilocularis mitogen activated protein kinase 3 0.0179 0.2877 0.1668
Echinococcus granulosus hexokinase type 2 0.0174 0.2742 0.1511
Echinococcus multilocularis caspase 3 0.0302 0.6362 0.5745
Loa Loa (eye worm) hexokinase 0.0174 0.2742 0.9533
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0135 0.1628 0.566
Brugia malayi Hexokinase family protein 0.0109 0.0905 0.3147
Onchocerca volvulus 0.0174 0.2742 1
Echinococcus granulosus hexokinase 0.0174 0.2742 0.1511
Loa Loa (eye worm) hypothetical protein 0.0119 0.1175 0.4085
Leishmania major hexokinase, putative 0.0174 0.2742 0.9058
Loa Loa (eye worm) hypothetical protein 0.0135 0.1628 0.566
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0179 0.2877 1
Trypanosoma brucei hexokinase 0.0174 0.2742 0.9058
Onchocerca volvulus 0.0135 0.1628 0.5937
Onchocerca volvulus 0.0135 0.1628 0.5937
Trypanosoma cruzi hexokinase, putative 0.0174 0.2742 0.9058
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.2877 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.2656 0.9232
Schistosoma mansoni hexokinase 0.0174 0.2742 0.1511
Loa Loa (eye worm) hexokinase type II 0.0174 0.2742 0.9533
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0179 0.2877 1
Trypanosoma cruzi hexokinase, putative 0.0174 0.2742 0.9058
Brugia malayi Hexokinase family protein 0.0174 0.2742 0.9533
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0179 0.2877 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0179 0.2877 1
Schistosoma mansoni caspase-3 (C14 family) 0.0431 1 1
Brugia malayi MAP kinase sur-1 0.0179 0.2877 1
Schistosoma mansoni caspase-7 (C14 family) 0.0431 1 1
Echinococcus granulosus caspase 0.0431 1 1
Onchocerca volvulus Cell death protein 3 homolog 0.0171 0.2656 0.9684
Onchocerca volvulus 0.0109 0.0905 0.3301
Echinococcus multilocularis caspase 0.0431 1 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0135 0.1628 0.566
Echinococcus granulosus caspase 3 0.0302 0.6362 0.5745
Trypanosoma brucei protein kinase, putative 0.0179 0.2877 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0431 1 1
Echinococcus granulosus mitogen activated protein kinase 0.0179 0.2877 0.1668
Echinococcus granulosus caspase 2 0.0171 0.2656 0.141
Onchocerca volvulus 0.0174 0.2742 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0179 0.2877 1
Loa Loa (eye worm) hexokinase 0.0109 0.0905 0.3147
Entamoeba histolytica hexokinase 2 0.0174 0.2742 0.5
Echinococcus multilocularis caspase 2 0.0171 0.2656 0.141
Leishmania major hexokinase, putative 0.0174 0.2742 0.9058
Echinococcus granulosus hexokinase 0.0174 0.2742 0.1511
Onchocerca volvulus 0.0135 0.1628 0.5937
Echinococcus multilocularis hexokinase 0.0174 0.2742 0.1511
Echinococcus granulosus hexokinase 0.0174 0.2742 0.1511
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.2877 1
Trypanosoma brucei hexokinase, putative 0.0174 0.2742 0.9058
Echinococcus multilocularis hexokinase 0.0174 0.2742 0.1511
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0179 0.2877 1
Onchocerca volvulus 0.0135 0.1628 0.5937
Echinococcus multilocularis hexokinase 0.0174 0.2742 0.1511
Onchocerca volvulus 0.0135 0.1628 0.5937
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.2877 1
Echinococcus multilocularis mitogen activated protein kinase 0.0179 0.2877 0.1668
Schistosoma mansoni caspase-7 (C14 family) 0.0171 0.2656 0.141
Echinococcus granulosus mitogen activated protein kinase 3 0.0179 0.2877 0.1668
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0179 0.2877 1
Treponema pallidum hexokinase (hxk) 0.0174 0.2742 0.5
Toxoplasma gondii hexokinase 0.0174 0.2742 0.9058
Giardia lamblia Kinase, CMGC MAPK 0.0179 0.2877 0.5
Plasmodium vivax hexokinase, putative 0.0174 0.2742 1
Echinococcus multilocularis hexokinase type 2 0.0174 0.2742 0.1511
Schistosoma mansoni serine/threonine protein kinase 0.0179 0.2877 0.1668
Loa Loa (eye worm) hexokinase 0.0174 0.2742 0.9533
Plasmodium falciparum hexokinase 0.0174 0.2742 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.1451 0.5043
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0135 0.1628 0.566
Onchocerca volvulus 0.0135 0.1628 0.5937
Brugia malayi Cell death protein 3 precursor 0.0171 0.2656 0.9232
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0135 0.1628 0.566
Onchocerca volvulus 0.0135 0.1628 0.5937
Brugia malayi hexokinase 0.0174 0.2742 0.9533
Entamoeba histolytica hexokinase 1 0.0174 0.2742 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.2877 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0129 0.1451 0.5043
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0179 0.2877 1
Onchocerca volvulus Hexokinase homolog 0.0109 0.0905 0.3301
Onchocerca volvulus 0.0174 0.2742 1
Trypanosoma brucei hexokinase 0.0174 0.2742 0.9058
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0179 0.2877 1
Onchocerca volvulus 0.0135 0.1628 0.5937

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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