Detailed information for compound 1161920

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.677 | Formula: C31H42N2O2
  • H donors: 1 H acceptors: 2 LogP: 8.15 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCn1cc(C(=O)NC23CC4CC(C3)CC(C2)C4)c(=O)c2c1ccc(c2)/C(=C\CC)/CC
  • InChi: 1S/C31H42N2O2/c1-4-7-8-12-33-20-27(29(34)26-16-25(10-11-28(26)33)24(6-3)9-5-2)30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31/h9-11,16,20-23H,4-8,12-15,17-19H2,1-3H3,(H,32,35)/b24-9-
  • InChiKey: XFOITCMVSBWFEM-OPVMPGTRSA-N  

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
Entamoeba histolytica hypothetical protein 0.0035 0.6547 1
Echinococcus granulosus dna polymerase eta 0.0043 1 1
Leishmania major DNA polymerase eta, putative 0.003 0.4775 0.4775
Toxoplasma gondii ImpB/MucB/SamB family protein 0.003 0.4775 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.6547 1
Brugia malayi hypothetical protein 0.0035 0.6547 0.6547
Schistosoma mansoni hypothetical protein 0.0035 0.6547 0.6547
Entamoeba histolytica hypothetical protein 0.0035 0.6547 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.6547 0.6547
Leishmania major DNA polymerase eta, putative 0.0043 1 1
Schistosoma mansoni DNA polymerase eta 0.0043 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.6547 0.6547
Entamoeba histolytica hypothetical protein 0.0035 0.6547 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Giardia lamblia DINP protein human, muc B family 0.0019 0 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0043 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.6547 0.6547
Echinococcus multilocularis dna polymerase eta 0.0043 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.003 0.4775 0.4775

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells ChEMBL. 20718492
Ki (binding) Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells ChEMBL. 20718492

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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