Detailed information for compound 348388

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.736 | Formula: C32H48N2O
  • H donors: 0 H acceptors: 1 LogP: 8.55 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCN(CC1)c1ccc(c(c1)C)C
  • InChi: 1S/C32H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(35)34-26-24-33(25-27-34)31-23-22-29(2)30(3)28-31/h8-9,11-12,14-15,17-18,22-23,28H,4-7,10,13,16,19-21,24-27H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
  • InChiKey: VGRQVFVWZJBWPH-GKFVBPDJSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cannabinoid receptor 1 (brain) Starlite/ChEMBL References
Homo sapiens cannabinoid receptor 2 (macrophage) Starlite/ChEMBL References

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
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0074 0.0105
Loa Loa (eye worm) proliferating cell nuclear antigen 0.0061 0.125 0.1775
Schistosoma mansoni thyroid hormone receptor 0.0153 0.3906 1
Plasmodium vivax proliferating cell nuclear antigen, putative 0.0061 0.125 1
Schistosoma mansoni proliferating cell nuclear antigen 0.0061 0.125 0.32
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0074 0.0074
Brugia malayi Nuclear hormone receptor-like 1 0.026 0.7042 0.9604
Schistosoma mansoni thyroid hormone receptor 0.0153 0.3906 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0074 0.0074
Brugia malayi Nuclear hormone receptor-like 1 0.027 0.7332 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0074 0.0101
Echinococcus multilocularis nmda type glutamate receptor 0.0026 0.0206 0.0206
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0074 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0074 0.0101
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0074 0.0074
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0074 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0074 0.0101
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.026 0.7042 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0074 0.0074
Entamoeba histolytica proliferating cell nuclear antigen, putative 0.0061 0.125 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0074 0.0105
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0074 0.0074
Brugia malayi Nuclear hormone receptor-like 1 0.026 0.7042 0.9604
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0074 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0074 0.0189
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0074 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0074 0.0101
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0074 0.0074
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0131 0.3291 0.3291
Plasmodium falciparum proliferating cell nuclear antigen 1 0.0061 0.125 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0074 0.0189
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0074 0.0101
Brugia malayi proliferating cell nuclear antigen (PCNA) 0.0061 0.125 0.1705
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0074 0.0074
Brugia malayi nuclear receptor NHR-88 0.0021 0.0074 0.0101
Schistosoma mansoni coup transcription factor 0.0021 0.0074 0.0189
Leishmania major proliferative cell nuclear antigen (PCNA), putative 0.0061 0.125 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0074 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0074 0.0101
Loa Loa (eye worm) hypothetical protein 0.0021 0.0074 0.0105
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0074 0.0074
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0074 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0074 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0074 0.0105
Schistosoma mansoni proliferating cell nuclear antigen 0.0061 0.125 0.32
Echinococcus multilocularis thyroid hormone receptor alpha 0.0153 0.3906 0.3906
Toxoplasma gondii proliferating cell nuclear antigen PCNA1 0.0061 0.125 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0074 0.0105
Brugia malayi ecdysteroid receptor 0.0021 0.0074 0.0101
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0074 0.0074
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0074 0.0189
Brugia malayi steroid hormone receptor 0.0021 0.0074 0.0101
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0061 0.125 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0074 0.0074
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0074 0.0189
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0074 0.0105
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0074 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0074 0.0101
Loa Loa (eye worm) hypothetical protein 0.0259 0.7007 0.9951
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0074 0.0074
Echinococcus multilocularis expressed protein 0.0362 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0074 0.0105
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0074 0.0105
Trypanosoma cruzi proliferative cell nuclear antigen (PCNA), putative 0.0061 0.125 0.5
Trypanosoma cruzi proliferative cell nuclear antigen (PCNA), putative 0.0061 0.125 0.5
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0061 0.125 1
Onchocerca volvulus 0.0021 0.0074 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0074 0.0101
Loa Loa (eye worm) hypothetical protein 0.0021 0.0074 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0074 0.0101
Loa Loa (eye worm) hypothetical protein 0.0021 0.0074 0.0105
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0074 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0074 0.0101
Loa Loa (eye worm) hypothetical protein 0.0021 0.0074 0.0105
Trypanosoma brucei proliferative cell nuclear antigen (PCNA), putative 0.0061 0.125 0.5
Giardia lamblia PcnA 0.0061 0.125 0.5
Schistosoma mansoni hypothetical protein 0.0131 0.3291 0.8425
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0074 0.0101
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0074 0.5
Brugia malayi nuclear hormone receptor 0.0021 0.0074 0.0101
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0074 0.0189
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0074 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0074 0.0105
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0074 0.0189
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0074 0.0074
Echinococcus granulosus nmda type glutamate receptor 0.0026 0.0206 0.0206
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0074 0.0074
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0131 0.3291 0.3291
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0074 0.0189
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0074 0.0189
Loa Loa (eye worm) hypothetical protein 0.0021 0.0074 0.0105
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0074 0.0105
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0026 0.0206 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0074 0.0101
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0074 0.0101
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0074 0.0189
Echinococcus multilocularis proliferating cell nuclear antigen 0.0061 0.125 0.125
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0074 0.0189
Echinococcus granulosus proliferating cell nuclear antigen 0.0061 0.125 0.125

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.4 uM Displacement of [3H]CP-55940 from human recombinant CB1 receptor ChEMBL. 16213718
Ki (binding) = 0.4 uM Displacement of [3H]CP-55940 from human recombinant CB1 receptor ChEMBL. 16213718
Ki (binding) = 4.2 uM Displacement of [3H]CP-55940 from human recombinant CB2 receptor ChEMBL. 16213718
Ki (binding) = 4.2 uM Displacement of [3H]CP-55940 from human recombinant CB2 receptor ChEMBL. 16213718

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.