Detailed information for compound 44576

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 534.603 | Formula: C26H48O7P2
  • H donors: 0 H acceptors: 2 LogP: 7.48 Rotable bonds: 22
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCCCCOc1ccc(cc1)CC(P(=O)(OC)OC)P(=O)(OC)OC
  • InChi: 1S/C26H48O7P2/c1-6-7-8-9-10-11-12-13-14-15-16-17-22-33-25-20-18-24(19-21-25)23-26(34(27,29-2)30-3)35(28,31-4)32-5/h18-21,26H,6-17,22-23H2,1-5H3
  • InChiKey: QFBBYFJOZWUZDU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 ImpB/MucB/SamB family protein 0.002 1 0.5
Leishmania major DNA polymerase eta, putative 0.002 1 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 1 0.5
Echinococcus multilocularis dna polymerase eta 0.002 1 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 1 0.5
Mycobacterium ulcerans DNA polymerase IV 0.002 1 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 1 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.002 1 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 1 0.5
Giardia lamblia DINP protein human, muc B family 0.002 1 0.5
Schistosoma mansoni DNA polymerase eta 0.002 1 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 1 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 1 0.5
Loa Loa (eye worm) hypothetical protein 0.002 1 0.5
Leishmania major DNA polymerase kappa, putative 0.002 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 1 1
Trypanosoma brucei unspecified product 0.002 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 1 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 1 0.5
Mycobacterium ulcerans DNA polymerase IV 0.002 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 1 1
Echinococcus granulosus dna polymerase kappa 0.002 1 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 1 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 1 0.5
Echinococcus multilocularis dna polymerase kappa 0.002 1 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 1 0.5
Echinococcus granulosus dna polymerase eta 0.002 1 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.002 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 1 1

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 4 % Activity to induce the elevation of triglycerides in plasma lipids of male Wistar rats ChEMBL. 3612689
Control (functional) = 10 % Activity to induce the elevation of phospholipids in plasma lipids of male Wistar rats ChEMBL. 3612689
Control (functional) = 14 % Activity to induce the elevation of alpha/beta cholesterol ratio in plasma lipids of male Wistar rats ChEMBL. 3612689
Control (functional) = 20 % Activity to induce the elevation of HDL(High Density Lipoproteins)-Cholesterol in plasma lipids of male Wistar rats ChEMBL. 3612689

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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