Detailed information for compound 1527601

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.475 | Formula: C24H26N2O2
  • H donors: 2 H acceptors: 2 LogP: 4.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc2c1cc[nH]2)N1CC[C@]([C@@H]2[C@@H]1CCCC2)(O)c1ccccc1
  • InChi: 1S/C24H26N2O2/c27-23(19-9-6-11-21-18(19)13-15-25-21)26-16-14-24(28,17-7-2-1-3-8-17)20-10-4-5-12-22(20)26/h1-3,6-9,11,13,15,20,22,25,28H,4-5,10,12,14,16H2/t20-,22-,24-/m0/s1
  • InChiKey: UOXHGECIQXHSKI-SSPYTLHUSA-N  


Substructure search Similarity search

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 2 (macrophage) Starlite/ChEMBL References
Homo sapiens cannabinoid receptor 1 (brain) 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
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.1486 0.1832
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0021 0.044 0.0156
Loa Loa (eye worm) hypothetical protein 0.004 0.1486 0.2178
Echinococcus granulosus serine protein kinase ATM 0.0029 0.0882 0.0611
Leishmania major hypothetical protein, conserved 0.003 0.0906 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0068 0.3052 0.2845
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.6826 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0906 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.3052 0.4471
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0906 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0654 0.0958
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0021 0.044 0.0156
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0021 0.044 0.4855
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0021 0.044 0.4855
Echinococcus multilocularis acetylcholinesterase 0.0068 0.3052 0.2845
Loa Loa (eye worm) acetylcholinesterase 1 0.0068 0.3052 0.4471
Echinococcus multilocularis serine protein kinase ATM 0.0029 0.0882 0.0611
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Loa Loa (eye worm) hypothetical protein 0.0058 0.2519 0.369
Schistosoma mansoni hypothetical protein 0.0193 1 1
Brugia malayi Carboxylesterase family protein 0.0068 0.3052 0.4227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0021 0.044 0.0156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0882 1
Echinococcus granulosus acetylcholinesterase 0.0068 0.3052 0.2845
Loa Loa (eye worm) hypothetical protein 0.003 0.0906 0.1327
Echinococcus granulosus acetylcholinesterase 0.0068 0.3052 0.2845
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.2519 0.3411
Schistosoma mansoni hypothetical protein 0.004 0.1486 0.1233
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.2519 0.369
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0021 0.044 0.4855
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.6826 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0021 0.044 0.4855
Schistosoma mansoni hypothetical protein 0.0193 1 1
Echinococcus multilocularis acetylcholinesterase 0.0068 0.3052 0.2845
Echinococcus multilocularis carboxylesterase 5A 0.0068 0.3052 0.2845
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.044 0.0644
Loa Loa (eye worm) hypothetical protein 0.0019 0.0288 0.0423
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0654 0.46
Toxoplasma gondii target of rapamycin (TOR), putative 0.0021 0.044 0.4855
Brugia malayi hypothetical protein 0.003 0.0906 0.0944
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Loa Loa (eye worm) hypothetical protein 0.0068 0.3052 0.4471
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.2519 0.3411
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0021 0.044 0.0156
Entamoeba histolytica hypothetical protein 0.0029 0.0882 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0906 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0021 0.044 0.4855
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0906 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.044 0.0231
Toxoplasma gondii FATC domain-containing protein 0.0029 0.0882 0.9736
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.044 0.0644
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0021 0.044 0.0156
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0029 0.0882 0.9736
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Loa Loa (eye worm) carboxylesterase 0.0068 0.3052 0.4471
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Echinococcus multilocularis geminin 0.0193 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0906 0.5
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0021 0.044 0.0156
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0029 0.0882 0.0611
Brugia malayi hypothetical protein 0.0019 0.0321 0.005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0029 0.0882 0.9486
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Giardia lamblia GTOR 0.0021 0.044 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0288 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0906 1
Brugia malayi MH2 domain containing protein 0.0136 0.6826 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0029 0.0882 0.0908
Echinococcus granulosus carboxylesterase 5A 0.0068 0.3052 0.2845
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0906 0.5
Brugia malayi Carboxylesterase family protein 0.0068 0.3052 0.4227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.044 0.4987
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.044 0.0231
Leishmania major phosphatidylinositol kinase related protein, putative 0.0021 0.0442 0.0049
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0442 0.0049

Activities

Activity type Activity value Assay description Source Reference
Emax (functional) = 31 % Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before forskolin challenge measured after 1 hr by HTRF assay relative to control ChEMBL. 21420857
Emax (functional) = 94 % Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before forskolin challenge measured after 1 hr by HTRF assay relative to control ChEMBL. 21420857
IC50 (functional) = 22 nM Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before forskolin challenge measured after 1 hr by HTRF assay ChEMBL. 21420857
IC50 (functional) > 17000 nM Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before forskolin challenge measured after 1 hr by HTRF assay ChEMBL. 21420857

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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