Detailed information for compound 1826193

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 469.616 | Formula: C21H44NO6PS
  • H donors: 0 H acceptors: 2 LogP: 4.98 Rotable bonds: 21
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCC(=O)OCC(COP(=O)(OCC[N+](C)(C)C)[S-])OC
  • InChi: 1S/C21H44NO6PS/c1-6-7-8-9-10-11-12-13-14-15-21(23)26-18-20(25-5)19-28-29(24,30)27-17-16-22(2,3)4/h20H,6-19H2,1-5H3
  • InChiKey: HKJURPHINHAZJJ-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
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0179 0.2877 1
Onchocerca volvulus 0.0135 0.1628 0.5937
Schistosoma mansoni hexokinase 0.0174 0.2742 0.1511
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0135 0.1628 0.566
Onchocerca volvulus 0.0109 0.0905 0.3301
Onchocerca volvulus 0.0135 0.1628 0.5937
Brugia malayi hexokinase 0.0174 0.2742 0.9533
Onchocerca volvulus 0.0135 0.1628 0.5937
Trypanosoma cruzi hexokinase, putative 0.0174 0.2742 0.9058
Schistosoma mansoni caspase-3 (C14 family) 0.0431 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0179 0.2877 1
Onchocerca volvulus 0.0174 0.2742 1
Trypanosoma brucei hexokinase 0.0174 0.2742 0.9058
Brugia malayi MAP kinase sur-1 0.0179 0.2877 1
Onchocerca volvulus 0.0174 0.2742 1
Brugia malayi Cell death protein 3 precursor 0.0171 0.2656 0.9232
Onchocerca volvulus 0.0135 0.1628 0.5937
Loa Loa (eye worm) hypothetical protein 0.0171 0.2656 0.9232
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0179 0.2877 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0135 0.1628 0.566
Loa Loa (eye worm) hexokinase 0.0174 0.2742 0.9533
Echinococcus multilocularis hexokinase 0.0174 0.2742 0.1511
Echinococcus granulosus caspase 2 0.0171 0.2656 0.141
Echinococcus multilocularis hexokinase 0.0174 0.2742 0.1511
Echinococcus multilocularis hexokinase type 2 0.0174 0.2742 0.1511
Leishmania major hexokinase, putative 0.0174 0.2742 0.9058
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0129 0.1451 0.5043
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0179 0.2877 1
Plasmodium falciparum hexokinase 0.0174 0.2742 1
Echinococcus granulosus hexokinase 0.0174 0.2742 0.1511
Loa Loa (eye worm) hexokinase 0.0174 0.2742 0.9533
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 cruzi mitogen-activated protein kinase 11, putative 0.0179 0.2877 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0179 0.2877 0.1668
Echinococcus multilocularis mitogen activated protein kinase 3 0.0179 0.2877 0.1668
Echinococcus multilocularis mitogen activated protein kinase 0.0179 0.2877 0.1668
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0179 0.2877 1
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) hypothetical protein 0.0135 0.1628 0.566
Trypanosoma brucei hexokinase 0.0174 0.2742 0.9058
Echinococcus granulosus hexokinase 0.0174 0.2742 0.1511
Toxoplasma gondii hexokinase 0.0174 0.2742 0.9058
Brugia malayi Hexokinase family protein 0.0174 0.2742 0.9533
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0431 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.2877 1
Echinococcus granulosus mitogen activated protein kinase 0.0179 0.2877 0.1668
Onchocerca volvulus 0.0135 0.1628 0.5937
Leishmania major hexokinase, putative 0.0174 0.2742 0.9058
Loa Loa (eye worm) hypothetical protein 0.0129 0.1451 0.5043
Entamoeba histolytica hexokinase 1 0.0174 0.2742 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.2877 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.1175 0.4085
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0179 0.2877 1
Trypanosoma brucei protein kinase, putative 0.0179 0.2877 1
Echinococcus multilocularis hexokinase 0.0174 0.2742 0.1511
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.2877 1
Treponema pallidum hexokinase (hxk) 0.0174 0.2742 0.5
Trypanosoma brucei hexokinase, putative 0.0174 0.2742 0.9058
Echinococcus granulosus caspase 0.0431 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0179 0.2877 0.5
Trypanosoma cruzi hexokinase, putative 0.0174 0.2742 0.9058
Onchocerca volvulus 0.0174 0.2742 1
Onchocerca volvulus Cell death protein 3 homolog 0.0171 0.2656 0.9684
Plasmodium vivax hexokinase, putative 0.0174 0.2742 1
Onchocerca volvulus Hexokinase homolog 0.0109 0.0905 0.3301
Brugia malayi Hexokinase family protein 0.0109 0.0905 0.3147
Schistosoma mansoni caspase-7 (C14 family) 0.0171 0.2656 0.141
Schistosoma mansoni serine/threonine protein kinase 0.0179 0.2877 0.1668
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.2877 1
Loa Loa (eye worm) hexokinase 0.0109 0.0905 0.3147
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0179 0.2877 1
Entamoeba histolytica hexokinase 2 0.0174 0.2742 0.5
Onchocerca volvulus 0.0135 0.1628 0.5937
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0179 0.2877 1
Schistosoma mansoni caspase-7 (C14 family) 0.0431 1 1
Onchocerca volvulus 0.0135 0.1628 0.5937
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0135 0.1628 0.566
Echinococcus multilocularis caspase 2 0.0171 0.2656 0.141
Loa Loa (eye worm) hexokinase type II 0.0174 0.2742 0.9533
Echinococcus granulosus hexokinase 0.0174 0.2742 0.1511
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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