Detailed information for compound 149701

Basic information

Technical information
  • TDR Targets ID: 149701
  • Name: methyl [(2,6-dimethylphenoxy)-ethoxyphosphory l]formate
  • MW: 272.234 | Formula: C12H17O5P
  • H donors: 0 H acceptors: 2 LogP: 2.57 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(C(=O)OC)Oc1c(C)cccc1C
  • InChi: 1S/C12H17O5P/c1-5-16-18(14,12(13)15-4)17-11-9(2)7-6-8-10(11)3/h6-8H,5H2,1-4H3
  • InChiKey: XFULWVNGDGCFGD-UHFFFAOYSA-N  

Network

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Synonyms

  • methyl [(2,6-dimethylphenoxy)-ethoxy-phosphoryl]formate
  • [(2,6-dimethylphenoxy)-ethoxyphosphoryl]formic acid methyl ester
  • methyl [(2,6-dimethylphenoxy)-ethoxy-phosphoryl]methanoate
  • [(2,6-dimethylphenoxy)-ethoxy-phosphoryl]formic acid methyl ester
  • 72304-87-1
  • AIDS-186451
  • AIDS186451
  • Phosphinecarboxylic acid, (2,6-dimethylphenoxy)ethoxy-, methyl ester, oxide

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
Brugia malayi Carboxylesterase family protein 0.0496 0.0859 0.0859
Onchocerca volvulus 0.0496 0.0859 0.5
Loa Loa (eye worm) hypothetical protein 0.0496 0.0859 0.0859
Loa Loa (eye worm) hypothetical protein 0.2938 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0496 0.0859 0.5
Loa Loa (eye worm) carboxylesterase 0.0496 0.0859 0.0859
Schistosoma mansoni neuroligin 3 (S09 family) 0.0496 0.0859 0.0859
Schistosoma mansoni BC026374 protein (S09 family) 0.0496 0.0859 0.0859
Loa Loa (eye worm) hypothetical protein 0.2938 1 1
Echinococcus granulosus acetylcholinesterase 0.2938 1 1
Brugia malayi Carboxylesterase family protein 0.0496 0.0859 0.0859
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0496 0.0859 0.0859
Loa Loa (eye worm) hypothetical protein 0.0496 0.0859 0.0859
Loa Loa (eye worm) hypothetical protein 0.0496 0.0859 0.0859
Onchocerca volvulus 0.0496 0.0859 0.5
Brugia malayi hypothetical protein 0.0496 0.0859 0.0859
Echinococcus multilocularis carboxylesterase 5A 0.2938 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0496 0.0859 0.5
Onchocerca volvulus 0.0496 0.0859 0.5
Onchocerca volvulus 0.0496 0.0859 0.5
Loa Loa (eye worm) hypothetical protein 0.0496 0.0859 0.0859
Loa Loa (eye worm) hypothetical protein 0.0496 0.0859 0.0859
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0496 0.0859 0.0859
Echinococcus multilocularis acetylcholinesterase 0.2938 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0496 0.0859 1
Loa Loa (eye worm) hypothetical protein 0.0496 0.0859 0.0859
Echinococcus granulosus acetylcholinesterase 0.2938 1 1
Onchocerca volvulus 0.0496 0.0859 0.5
Schistosoma mansoni acetylcholinesterase 0.0496 0.0859 0.0859
Mycobacterium ulcerans carboxylesterase, LipT 0.0496 0.0859 1
Loa Loa (eye worm) acetylcholinesterase 1 0.2938 1 1
Loa Loa (eye worm) hypothetical protein 0.0496 0.0859 0.0859
Brugia malayi Carboxylesterase family protein 0.0496 0.0859 0.0859
Echinococcus multilocularis acetylcholinesterase 0.2938 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0496 0.0859 0.5
Brugia malayi Carboxylesterase family protein 0.2938 1 1
Loa Loa (eye worm) carboxylesterase 0.2938 1 1
Echinococcus granulosus carboxylesterase 5A 0.2938 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0496 0.0859 0.0859
Brugia malayi Carboxylesterase family protein 0.0496 0.0859 0.0859
Loa Loa (eye worm) carboxylesterase 0.0496 0.0859 0.0859
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2938 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0496 0.0859 1
Schistosoma mansoni gliotactin 0.0496 0.0859 0.0859

Activities

Activity type Activity value Assay description Source Reference
Effect (functional) 0 Evaluated for antiviral activity against cutaneous HSV-1 C42 infections in guinea pig; Not active ChEMBL. 6298425
IC50 (binding) > 500 uM Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay ChEMBL. 6298425
IC50 (binding) > 500 uM Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay ChEMBL. 6298425

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

1 literature reference was collected for this gene.

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