Detailed information for compound 543450

Basic information

Technical information
  • TDR Targets ID: 543450
  • Name: (2R)-2,3-di(hexadecanoyloxy)propanoic acid
  • MW: 582.895 | Formula: C35H66O6
  • H donors: 1 H acceptors: 4 LogP: 14.29 Rotable bonds: 34
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](C(=O)O)OC(=O)CCCCCCCCCCCCCCC
  • InChi: 1S/C35H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)40-31-32(35(38)39)41-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,38,39)/t32-/m1/s1
  • InChiKey: YNDKVGFDHKZHQI-JGCGQSQUSA-N  

Network

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Synonyms

  • (2R)-2,3-bis(1-oxohexadecoxy)propanoic acid
  • (2R)-2,3-di(hexadecanoyloxy)propionic acid
  • 2,3-dipalmitoylglyceric acid
  • 139627-48-8
  • 2,3-Dipalmitoyl-D-glyceric acid
  • 2,3-Dpga

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 Hypothetical zinc metalloproteinase T16A9.4 0.0096 0.0707 0.0697
Loa Loa (eye worm) histone deacetylase 11 0.0205 0.2338 0.2331
Mycobacterium leprae probable zinc metalloprotease 0.0096 0.0707 0.5
Brugia malayi Histone deacetylase family protein 0.0205 0.2338 0.2331
Leishmania major histone deacetylase, putative 0.0719 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0049 0.001 0.001
Entamoeba histolytica histone deacetylase, putative 0.0719 1 0.5
Echinococcus granulosus acetylcholinesterase 0.0289 0.3598 0.3592
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0719 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0719 1 1
Schistosoma mansoni histone deacetylase 0.0719 1 1
Loa Loa (eye worm) carboxylesterase 0.0289 0.3598 0.3592
Echinococcus multilocularis histone deacetylase 6 0.0205 0.2338 0.2331
Trypanosoma cruzi histone deacetylase 1, putative 0.0719 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0719 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0359 0.035
Loa Loa (eye worm) hypothetical protein 0.0289 0.3598 0.3592
Loa Loa (eye worm) hypothetical protein 0.0072 0.0359 0.035
Brugia malayi Histone deacetylase 1 0.0719 1 1
Echinococcus granulosus histone deacetylase 6 0.0205 0.2338 0.2331
Schistosoma mansoni histone deacetylase 4 5 0.0205 0.2338 0.2338
Toxoplasma gondii histone deacetylase HDAC3 0.0719 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0719 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0334 0.0325
Schistosoma mansoni acetylcholinesterase 0.0049 0.001 0.001
Toxoplasma gondii histone deacetylase HDAC1 0.0205 0.2338 0.1756
Trichomonas vaginalis histone deacetylase, putative 0.0719 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0719 1 1
Plasmodium falciparum histone deacetylase 1 0.0719 1 1
Schistosoma mansoni gliotactin 0.0049 0.001 0.001
Echinococcus granulosus histone deacetylase 1 0.0719 1 1
Loa Loa (eye worm) peptidase family M13 containing protein 0.0071 0.0334 0.0325
Trichomonas vaginalis histone deacetylase, putative 0.0719 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0359 0.035
Echinococcus multilocularis histone deacetylase 0.0205 0.2338 0.2331
Toxoplasma gondii histone deacetylase HDAC4 0.0205 0.2338 0.1756
Loa Loa (eye worm) hypothetical protein 0.0072 0.0359 0.035
Loa Loa (eye worm) histone deacetylase 1 0.0719 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.0719 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0334 0.0325
Echinococcus multilocularis carboxylesterase 5A 0.0289 0.3598 0.3592
Loa Loa (eye worm) hypothetical protein 0.0072 0.0359 0.035
Brugia malayi Carboxylesterase family protein 0.0289 0.3598 0.3592
Loa Loa (eye worm) hypothetical protein 0.0071 0.0334 0.0325
Leishmania major histone deacetylase, putative 0.0719 1 1
Schistosoma mansoni histone deacetylase hda2 0.0205 0.2338 0.2338
Echinococcus multilocularis acetylcholinesterase 0.0289 0.3598 0.3592
Echinococcus multilocularis acetylcholinesterase 0.0289 0.3598 0.3592
Loa Loa (eye worm) peptidase family M13 containing protein 0.0071 0.0334 0.0325
Brugia malayi histone deacetylase 1 (HD1) 0.0719 1 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0205 0.2338 0.2338
Echinococcus multilocularis endothelin converting enzyme 1 0.0096 0.0707 0.0697
Loa Loa (eye worm) acetylcholinesterase 1 0.0289 0.3598 0.3592
Echinococcus multilocularis histone deacetylase 8 0.0205 0.2338 0.2331
Loa Loa (eye worm) hypothetical protein 0.0096 0.0707 0.0697
Echinococcus granulosus histone deacetylase 3 0.0719 1 1
Echinococcus multilocularis histone deacetylase 6 0.0205 0.2338 0.2331
Loa Loa (eye worm) histone deacetylase 0.0205 0.2338 0.2331
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0049 0.001 0.001
Toxoplasma gondii histone deacetylase HDAC5 0.0205 0.2338 0.1756
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0049 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0719 1 1
Echinococcus multilocularis histone deacetylase 3 0.0719 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0359 0.035
Loa Loa (eye worm) histone deacetylase 7A 0.0205 0.2338 0.2331
Loa Loa (eye worm) hypothetical protein 0.0289 0.3598 0.3592
Schistosoma mansoni histone deacetylase 4 5 0.0205 0.2338 0.2338
Brugia malayi Peptidase family M13 containing protein 0.0096 0.0707 0.0697
Echinococcus multilocularis histone deacetylase 6 0.0205 0.2338 0.2331
Schistosoma mansoni BC026374 protein (S09 family) 0.0049 0.001 0.001
Echinococcus multilocularis histone deacetylase 1 0.0719 1 1
Loa Loa (eye worm) histone deacetylase 3 0.0719 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0719 1 1
Brugia malayi Histone deacetylase family protein 0.0205 0.2338 0.2331
Echinococcus granulosus endothelin converting enzyme 1 0.0096 0.0707 0.0697
Trypanosoma brucei histone deacetylase 1 0.0719 1 1
Plasmodium vivax histone deacetylase 1, putative 0.0719 1 1
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0096 0.0707 1
Mycobacterium ulcerans zinc metalloprotease 0.0096 0.0707 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0707 0.0697
Echinococcus granulosus carboxylesterase 5A 0.0289 0.3598 0.3592
Trichomonas vaginalis histone deacetylase, putative 0.0719 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0707 0.0697
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0096 0.0707 0.0707
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0289 0.3598 0.3598
Echinococcus granulosus histone deacetylase 8 0.0205 0.2338 0.2331
Echinococcus granulosus histone deacetylase 6 0.0205 0.2338 0.2331
Echinococcus multilocularis histone deacetylase 7 0.0205 0.2338 0.2331
Brugia malayi histone deacetylase 11 0.0205 0.2338 0.2331
Schistosoma mansoni histone deacetylase hda2 0.0205 0.2338 0.2338
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0049 0.001 0.001
Brugia malayi Carboxylesterase family protein 0.0289 0.3598 0.3592
Loa Loa (eye worm) hypothetical protein 0.0071 0.0334 0.0325
Echinococcus granulosus acetylcholinesterase 0.0289 0.3598 0.3592
Echinococcus granulosus histone deacetylase 6 0.0205 0.2338 0.2331
Giardia lamblia Histone deacetylase 0.0719 1 0.5
Echinococcus granulosus histone deacetylase 7 0.0205 0.2338 0.2331
Echinococcus granulosus histone deacetylase 0.0205 0.2338 0.2331
Onchocerca volvulus Histone deacetylase 10 homolog 0.0205 0.2338 1
Schistosoma mansoni histone deacetylase 0.0719 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0719 1 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.2338 0.2331

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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