Detailed information for compound 1860779

Basic information

Technical information
  • TDR Targets ID: 1860779
  • Name: [(4-chlorophenyl)-[2-(2,4-dichlorophenoxy)ace tyl]oxymethyl]-methoxyphosphinic acid
  • MW: 439.612 | Formula: C16H14Cl3O6P
  • H donors: 1 H acceptors: 3 LogP: 4.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COP(=O)(C(c1ccc(cc1)Cl)OC(=O)COc1ccc(cc1Cl)Cl)O
  • InChi: 1S/C16H14Cl3O6P/c1-23-26(21,22)16(10-2-4-11(17)5-3-10)25-15(20)9-24-14-7-6-12(18)8-13(14)19/h2-8,16H,9H2,1H3,(H,21,22)
  • InChiKey: YLLYMDHJUMYXMC-UHFFFAOYSA-N  

Network

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Synonyms

  • [(4-chlorophenyl)-[2-(2,4-dichlorophenoxy)acetyl]oxy-methyl]-methoxy-phosphinic acid
  • [(4-chlorophenyl)-[2-(2,4-dichlorophenoxy)-1-oxoethoxy]methyl]-methoxyphosphinic acid
  • [(4-chlorophenyl)-[2-(2,4-dichlorophenoxy)ethanoyloxy]methyl]-methoxy-phosphinic acid

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
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0208 0.7802 1
Toxoplasma gondii Dullard family phosphatase domain-containing protein 0.0014 0.0099 0.1003
Echinococcus granulosus expressed protein 0.0037 0.1025 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0869 0.8309
Loa Loa (eye worm) hypothetical protein 0.0014 0.0099 0.0008
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0208 0.7802 0.778
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0208 0.7802 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0208 0.7802 0.778
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0099 0.0474
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0208 0.7802 0.8924
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.8732 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0208 0.7802 0.8923
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0208 0.7802 0.778
Brugia malayi Pre-SET motif family protein 0.0231 0.8732 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0869 0.8309
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1025 0.0935
Toxoplasma gondii peptidylprolyl isomerase 0.0036 0.0991 1
Leishmania major hypothetical protein, conserved 0.0014 0.0099 0.0474
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0037 0.1025 0.108
Loa Loa (eye worm) hypothetical protein 0.0033 0.0869 0.0898
Leishmania major hypothetical protein, conserved 0.0064 0.2095 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0869 0.877
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.2095 1
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0011 0 0.5
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0036 0.0991 0.4728
Trichomonas vaginalis set domain proteins, putative 0.0263 1 1
Brugia malayi Pre-SET motif family protein 0.0033 0.0869 0.0891
Onchocerca volvulus 0.0208 0.7802 0.7593
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0869 0.8321
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0064 0.2095 1
Plasmodium vivax SET domain protein, putative 0.0033 0.0869 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0036 0.0991 0.1157
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.2095 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0869 0.8321
Trichomonas vaginalis rotamase, putative 0.0036 0.0991 0.09
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0208 0.7802 0.778
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0064 0.2095 0.2016
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0014 0.0099 0.0072
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0208 0.7802 0.778
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0037 0.1025 0.1073
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0869 0.8321
Schistosoma mansoni rotamase 0.0037 0.1025 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.082 0.7786
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0064 0.2095 0.2016
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0869 0.8309
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0014 0.0099 0.0072
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0036 0.0991 0.4728
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0869 0.8321
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0991 0.4728
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0208 0.7802 0.5
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0208 0.7802 1
Echinococcus multilocularis expressed protein 0.0037 0.1025 1
Plasmodium falciparum NLI interacting factor-like phosphatase, putative 0.0014 0.0099 0.5
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0144 0.5259 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0991 0.4728
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 0.0014 0.0099 0.0474
Trichomonas vaginalis rotamase, putative 0.0037 0.1025 0.0935
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0208 0.7802 0.778

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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