Detailed information for compound 275568

Basic information

Technical information
  • TDR Targets ID: 275568
  • Name: 9-(2-chloro-4-methoxyphenoxy)-3-diethoxyphosp horylnonan-2-one
  • MW: 434.891 | Formula: C20H32ClO6P
  • H donors: 0 H acceptors: 2 LogP: 4.23 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(C(C(=O)C)CCCCCCOc1ccc(cc1Cl)OC)OCC
  • InChi: 1S/C20H32ClO6P/c1-5-26-28(23,27-6-2)20(16(3)22)11-9-7-8-10-14-25-19-13-12-17(24-4)15-18(19)21/h12-13,15,20H,5-11,14H2,1-4H3
  • InChiKey: CHPSTQOVOUSELB-UHFFFAOYSA-N  

Network

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Synonyms

  • 9-(2-chloro-4-methoxy-phenoxy)-3-diethoxyphosphoryl-nonan-2-one
  • 9-(2-chloro-4-methoxyphenoxy)-3-diethoxyphosphoryl-2-nonanone
  • 73515-01-2
  • AIDS-208359
  • AIDS208359
  • Phosphonic acid, [1-acetyl-7-(2-chloro-4-methoxyphenoxy)heptyl]-, diethyl ester

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
Mycobacterium tuberculosis Possible maturase 0.0028 0.0039 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0355 0.2757 0.2728
Onchocerca volvulus Arrow homolog 0.0053 0.0244 0.0826
Giardia lamblia Ribonuclease H 0.0327 0.2526 1
Schistosoma mansoni phosphoglucomutase 0.0327 0.2526 0.2497
Trypanosoma brucei ingi protein (ORF1) 0.0355 0.2757 0.2728
Schistosoma mansoni phosphoglucomutase 0.0327 0.2526 0.2497
Leishmania major ribonuclease H1, putative 0.0327 0.2526 0.5
Treponema pallidum ribonuclease H (rnhA) 0.0327 0.2526 0.5
Trichomonas vaginalis ribonuclease H1, putative 0.0327 0.2526 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0327 0.2526 0.5
Brugia malayi Low-density lipoprotein receptor-related protein, putative 0.0035 0.0095 0.0226
Loa Loa (eye worm) hypothetical protein 0.0053 0.0244 1
Trypanosoma brucei ingi protein (ORF1) 0.0355 0.2757 0.2728
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0355 0.2757 0.2728
Toxoplasma gondii ribonuclease HI protein 0.0327 0.2526 0.5
Schistosoma mansoni phosphoglucomutase 0.0327 0.2526 0.2497
Brugia malayi RNase H family protein 0.0327 0.2526 1
Brugia malayi RNase H family protein 0.0327 0.2526 1
Trypanosoma brucei unspecified product 0.0355 0.2757 0.2728
Trypanosoma brucei RNA helicase, putative 0.1228 1 1
Echinococcus multilocularis ribonuclease H1 0.0327 0.2526 1
Brugia malayi RNase H family protein 0.0327 0.2526 1
Trypanosoma cruzi ribonuclease H1, putative 0.0327 0.2526 1
Onchocerca volvulus Ribonuclease H1 homolog 0.0327 0.2526 1
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0053 0.0244 1
Echinococcus granulosus ribonuclease H1 0.0327 0.2526 1
Trypanosoma brucei ribonuclease H1 0.0327 0.2526 0.2497
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0053 0.0244 0.0826
Trypanosoma cruzi ribonuclease H1, putative 0.0327 0.2526 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 6 ug ml-1 In vitro ability to inhibit the herpes HSV-2 virus ChEMBL. 6325695

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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