Detailed information for compound 1015586

Basic information

Technical information
  • TDR Targets ID: 1015586
  • Name: S-[(2R)-1-(hydroxy-methoxyphosphoryl)oxy-3-pe ntoxypropan-2-yl] octanethioate
  • MW: 398.495 | Formula: C17H35O6PS
  • H donors: 1 H acceptors: 3 LogP: 4.12 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC(=O)S[C@@H](COP(=O)(OC)O)COCCCCC
  • InChi: 1S/C17H35O6PS/c1-4-6-8-9-10-12-17(18)25-16(14-22-13-11-7-5-2)15-23-24(19,20)21-3/h16H,4-15H2,1-3H3,(H,19,20)/t16-/m1/s1
  • InChiKey: UXBSYMVYQHTVEH-MRXNPFEDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • S-[(1R)-1-[(hydroxy-methoxy-phosphoryl)oxymethyl]-2-pentoxy-ethyl] octanethioate
  • octanethioic acid S-[(1R)-1-[(hydroxy-methoxyphosphoryl)oxymethyl]-2-pentoxyethyl] ester
  • octanethioic acid S-[(1R)-1-(amoxymethyl)-2-(hydroxy-methoxy-phosphoryl)oxy-ethyl] ester
  • S-[(2R)-1-(hydroxy-methoxy-phosphoryl)oxy-3-pentoxy-propan-2-yl] octanethioate

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
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.5856 0.5761
Entamoeba histolytica recQ family DNA helicase 0.001 0.0223 0.0381
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.5856 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.1911 0.1727
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.5856 0.4877
Echinococcus multilocularis bloom syndrome protein 0.002 0.5856 0.4877
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.5856 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.5856 0.4291
Echinococcus granulosus lamin 0.0027 1 1
Echinococcus multilocularis lamin 0.0027 1 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.5856 0.4877
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.5856 0.5
Schistosoma mansoni intermediate filament proteins 0.0027 1 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.5856 0.4877
Schistosoma mansoni lamin 0.0027 1 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0223 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.5856 1
Loa Loa (eye worm) hypothetical protein 0.002 0.5856 0.5761
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.5856 1
Echinococcus granulosus lamin dm0 0.0027 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.5856 0.4877
Loa Loa (eye worm) hypothetical protein 0.0027 1 1
Echinococcus granulosus intermediate filament protein 0.0027 1 1
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.5856 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1625 0.1434
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.5856 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.1625 0.1434
Loa Loa (eye worm) hypothetical protein 0.0026 0.9714 0.9707
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0223 0.0381
Echinococcus granulosus bloom syndrome protein 0.002 0.5856 0.4877
Onchocerca volvulus 0.0027 1 0.5
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0223 0.0223
Schistosoma mansoni DNA helicase recq5 0.002 0.5856 0.5856
Entamoeba histolytica recQ family helicase, putative 0.002 0.5856 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 1 1
Echinococcus multilocularis musashi 0.0027 1 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.5856 0.4291
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.2742 0.2576
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.5856 0.5
Schistosoma mansoni DNA helicase recq1 0.002 0.5856 0.5856
Loa Loa (eye worm) hypothetical protein 0.001 0.0223 0.0000000048454
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.5856 0.5
Brugia malayi Bloom's syndrome protein homolog 0.002 0.5856 0.4291
Loa Loa (eye worm) RecQ helicase 0.002 0.5856 0.5761
Onchocerca volvulus 0.0027 1 0.5
Schistosoma mansoni lamin 0.0027 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.5856 1
Loa Loa (eye worm) intermediate filament protein 0.0027 1 1
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0223 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.5856 0.5
Echinococcus multilocularis lamin dm0 0.0027 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.

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