Detailed information for compound 304577

Basic information

Technical information
  • TDR Targets ID: 304577
  • Name: disodium [2-(3,5-dimethoxyphenyl)-2-(octanoyl amino)ethyl] phosphate
  • MW: 447.371 | Formula: C18H28NNa2O7P
  • H donors: 1 H acceptors: 4 LogP: 2.06 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC(=O)NC(c1cc(OC)cc(c1)OC)COP(=O)([O-])[O-].[Na+].[Na+]
  • InChi: 1S/C18H30NO7P.2Na/c1-4-5-6-7-8-9-18(20)19-17(13-26-27(21,22)23)14-10-15(24-2)12-16(11-14)25-3;;/h10-12,17H,4-9,13H2,1-3H3,(H,19,20)(H2,21,22,23);;/q;2*+1/p-2
  • InChiKey: FGJXTZPKVCMINA-UHFFFAOYSA-L  


Substructure search Similarity search

Network

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Synonyms

  • disodium [2-(3,5-dimethoxyphenyl)-2-(1-oxooctylamino)ethyl] phosphate
  • disodium [2-(caprylylamino)-2-(3,5-dimethoxyphenyl)ethyl] phosphate

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
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Echinococcus multilocularis tissue type plasminogen activator 0.0733 0.2781 1
Onchocerca volvulus 0.0327 0.0187 0.0202
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0327 0.0187 0.0187
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0327 0.0187 0.0187
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0383 0.0542 0.0542
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0327 0.0187 0.0187
Brugia malayi Protein kinase domain containing protein 0.0733 0.2781 0.2991
Leishmania major hypothetical protein, conserved 0.0733 0.2781 0.5
Brugia malayi Trypsin-like protease protein 5 0.0327 0.0187 0.0202
Onchocerca volvulus 0.0327 0.0187 0.0202
Brugia malayi Kringle domain containing protein 0.0733 0.2781 0.2991
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Brugia malayi Muscle positioning protein 4 0.0398 0.0641 0.0689
Loa Loa (eye worm) hypothetical protein 0.0327 0.0187 0.0202
Loa Loa (eye worm) hypothetical protein 0.1751 0.9298 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0733 0.2781 0.5
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0336 0.0241 0.0241
Plasmodium falciparum cysteine repeat modular protein 1 0.0733 0.2781 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0327 0.0187 0.0187
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1751 0.9298 0.9298
Onchocerca volvulus 0.0327 0.0187 0.0202
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0531 0.149 0.5023
Loa Loa (eye worm) trypsin family protein 0.0327 0.0187 0.0202
Onchocerca volvulus 0.0398 0.0641 0.0689
Loa Loa (eye worm) hypothetical protein 0.0327 0.0187 0.0202
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0531 0.149 0.5023
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0531 0.149 0.1603
Brugia malayi Trypsin family protein 0.0327 0.0187 0.0202
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0531 0.149 0.149
Onchocerca volvulus 0.0733 0.2781 0.2991
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0327 0.0187 0.0187
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0327 0.0187 0.0202
Schistosoma mansoni hypothetical protein 0.0327 0.0187 0.0187
Echinococcus granulosus tissue type plasminogen activator 0.0733 0.2781 1
Trypanosoma cruzi hypothetical protein, conserved 0.0733 0.2781 0.5
Loa Loa (eye worm) hypothetical protein 0.0398 0.0641 0.0689
Loa Loa (eye worm) hypothetical protein 0.0327 0.0187 0.0202
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0327 0.0187 0.0202
Toxoplasma gondii PAN domain-containing protein 0.0973 0.4319 1
Brugia malayi prolyl oligopeptidase family protein 0.0531 0.149 0.1603
Onchocerca volvulus 0.1424 0.7205 0.7749
Onchocerca volvulus 0.1751 0.9298 1
Brugia malayi hypothetical protein 0.0327 0.0187 0.0202
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.1751 0.9298 1
Mycobacterium ulcerans hypothetical protein 0.0327 0.0187 0.5
Brugia malayi Trypsin family protein 0.1751 0.9298 1
Schistosoma mansoni hypothetical protein 0.0327 0.0187 0.0187
Loa Loa (eye worm) TK/ROR protein kinase 0.0733 0.2781 0.2991
Schistosoma mansoni hypothetical protein 0.0733 0.2781 0.2781
Brugia malayi Trypsin family protein 0.0327 0.0187 0.0202
Onchocerca volvulus 0.0327 0.0187 0.0202
Loa Loa (eye worm) hypothetical protein 0.0733 0.2781 0.2991
Schistosoma mansoni cercarial elastase (S01 family) 0.0327 0.0187 0.0187
Brugia malayi Trypsin family protein 0.0327 0.0187 0.0202
Onchocerca volvulus 0.0327 0.0187 0.0202
Loa Loa (eye worm) prolyl oligopeptidase 0.0531 0.149 0.1603
Loa Loa (eye worm) hypothetical protein 0.0327 0.0187 0.0202
Toxoplasma gondii PAN domain-containing protein 0.0973 0.4319 1

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 3.8 mg kg-1 Inhibition of Tumor necrosis factor alpha production after i.v. dose of 0.01-0.1 mg/10 mL/kg in 6-8 weeks old rats. ChEMBL. 11958990

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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