Detailed information for compound 1022770

Basic information

Technical information
  • TDR Targets ID: 1022770
  • Name: 4-[3-(2-fluorophenoxy)phenyl]-1-phosphonobuta ne-1-sulfonic acid
  • MW: 404.347 | Formula: C16H18FO7PS
  • H donors: 3 H acceptors: 6 LogP: 1.75 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1Oc1cccc(c1)CCCC(S(=O)(=O)O)P(=O)(O)O
  • InChi: 1S/C16H18FO7PS/c17-14-8-1-2-9-15(14)24-13-7-3-5-12(11-13)6-4-10-16(25(18,19)20)26(21,22)23/h1-3,5,7-9,11,16H,4,6,10H2,(H2,18,19,20)(H,21,22,23)
  • InChiKey: OHYIVSIWKOMZPF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[3-(2-fluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic 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
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.2535 0.2535
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.8362 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2535 0.2535
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 1 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2535 0.2535
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2535 0.2535
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 1 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.8362 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 1 1
Schistosoma mansoni inositol monophosphatase 0.0039 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2535 0.2535
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2535 0.2535
Echinococcus multilocularis inositol monophosphatase 1 0.0039 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.2535 0.2535
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2535 0.2535
Echinococcus granulosus inositol monophosphatase 1 0.0039 1 1
Giardia lamblia DINP protein human, muc B family 0.002 0.2535 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2535 0.2535
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2535 0.2535
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.2535 0.2535
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.2535 0.2535
Loa Loa (eye worm) inositol-1 0.0039 1 1
Trypanosoma brucei unspecified product 0.002 0.2535 0.2535
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2535 0.2535
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2535 0.2535
Schistosoma mansoni inositol monophosphatase 0.0039 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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