Detailed information for compound 36324

Basic information

Technical information
  • TDR Targets ID: 36324
  • Name: morphinone
  • MW: 283.322 | Formula: C17H17NO3
  • H donors: 1 H acceptors: 2 LogP: 1.88 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O
  • InChi: 1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3
  • InChiKey: PFBSOANQDDTNGJ-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
Leishmania major protein kinase, putative 0.0123 0.364 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.006 0.1611 1
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0123 0.364 0.364
Plasmodium vivax serine/threonine kinase-1, putative 0.0123 0.364 1
Echinococcus multilocularis 0.0119 0.3536 0.3536
Loa Loa (eye worm) TK/FAK protein kinase 0.0258 0.801 0.801
Echinococcus multilocularis aurora kinase A 0.006 0.1611 0.1611
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.006 0.1611 1
Echinococcus granulosus dual specificity protein kinase clk2 0.0123 0.364 0.364
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0123 0.364 1
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0319 1 1
Leishmania major protein kinase, putative 0.0123 0.364 1
Echinococcus multilocularis protein tyrosine kinase 0.0255 0.7913 0.7913
Trichomonas vaginalis CMGC family protein kinase 0.0123 0.364 1
Brugia malayi serine/threonine kinase 12 0.006 0.1611 0.1611
Brugia malayi Protein kinase domain containing protein 0.0053 0.1398 0.1398
Entamoeba histolytica protein kinase, putative 0.006 0.1611 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0123 0.364 1
Brugia malayi serine/threonine protein kinase 6 0.006 0.1611 0.1611
Brugia malayi Protein kinase domain containing protein 0.0258 0.801 0.801
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.006 0.1611 0.1611
Plasmodium vivax serine/threonine protein kinase 6, putative 0.006 0.1611 0.0951
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0123 0.364 1
Schistosoma mansoni serine/threonine protein kinase 0.0123 0.364 0.364
Loa Loa (eye worm) AUR protein kinase 0.006 0.1611 0.1611
Echinococcus multilocularis expressed protein 0.0053 0.1398 0.1398
Echinococcus granulosus aurora kinase A 0.006 0.1611 0.1611
Loa Loa (eye worm) hypothetical protein 0.0119 0.3536 0.3536
Loa Loa (eye worm) AUR protein kinase 0.006 0.1611 0.1611
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0319 1 1
Loa Loa (eye worm) CMGC/SRPK protein kinase 0.0053 0.1398 0.1398
Echinococcus granulosus serine:threonine protein kinase 12 B 0.006 0.1611 0.1611
Schistosoma mansoni serine/threonine protein kinase 0.0319 1 1
Toxoplasma gondii aurora kinase 0.006 0.1611 0.0951
Leishmania major protein kinase, putative 0.006 0.1611 0.0951
Brugia malayi Protein kinase domain containing protein 0.0123 0.364 0.364
Schistosoma mansoni serine/threonine protein kinase 0.006 0.1611 0.1611
Schistosoma mansoni serine/threonine protein kinase 0.0123 0.364 0.364
Entamoeba histolytica protein kinase , putative 0.006 0.1611 1
Echinococcus multilocularis dual specificity protein kinase clk2 0.0123 0.364 0.364
Trypanosoma brucei aurora B kinase 0.006 0.1611 0.0951
Brugia malayi serine/threonine-protein kinase 6 0.006 0.1611 0.1611
Trypanosoma cruzi aurora B kinase, putative 0.006 0.1611 0.0951
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0123 0.364 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0319 1 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.006 0.1611 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0123 0.364 1
Schistosoma mansoni tyrosine kinase 0.0255 0.7913 0.7913
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0319 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0319 1 1
Loa Loa (eye worm) AUR protein kinase 0.006 0.1611 0.1611
Entamoeba histolytica protein kinase, putative 0.006 0.1611 1
Echinococcus granulosus hypothetical protein 0.0119 0.3536 0.3536
Giardia lamblia Aurora kinase 0.006 0.1611 0.0951
Plasmodium falciparum serine/threonine protein kinase, putative 0.006 0.1611 0.0951
Schistosoma mansoni protein kinase 0.006 0.1611 0.1611
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1398 0.1398
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0123 0.364 1
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0319 1 1
Echinococcus granulosus expressed protein 0.0053 0.1398 0.1398
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0123 0.364 1
Giardia lamblia Kinase, CMGC CLK 0.0123 0.364 1
Entamoeba histolytica protein kinase domain containing protein 0.006 0.1611 1
Plasmodium falciparum protein serine/threonine kinase-1 0.0123 0.364 1
Echinococcus granulosus protein tyrosine kinase 0.0255 0.7913 0.7913

Activities

Activity type Activity value Assay description Source Reference
Dose (functional) = 67 % Mice were intracerebroventricularly injected with 10 nmol of the compound and challenged with a 10 mg/kg subcutaneous dose of morphine sulfate; percentage of animals exhibiting analgesia was reported, after 24 hr ChEMBL. 6207298
Dose (functional) = 67 % Mice were intracerebroventricularly injected with 10 nmol of the compound and challenged with a 10 mg/kg subcutaneous dose of morphine sulfate; percentage of animals exhibiting analgesia was reported, after 24 hr ChEMBL. 6207298
Dose (functional) = 80 % Mice were intracerebroventricularly injected with 10 nmol of the compound and challenged with a 10 mg/kg subcutaneous dose of morphine sulfate; percentage of animals exhibiting analgesia was reported, after 2 hr ChEMBL. 6207298
Dose (functional) = 80 % Mice were intracerebroventricularly injected with 10 nmol of the compound and challenged with a 10 mg/kg subcutaneous dose of morphine sulfate; percentage of animals exhibiting analgesia was reported, after 2 hr ChEMBL. 6207298
ED50 (functional) = 11.1 nM mouse-1 Analgesic activity by tail-flick procedure, after intracerebroventricular administration in mice. Compound is inactive at 10 nmol/mouse ChEMBL. 6207298
ED50 (functional) = 11.1 nM mouse-1 Analgesic activity by tail-flick procedure, after intracerebroventricular administration in mice. Compound is inactive at 10 nmol/mouse ChEMBL. 6207298
IC50 (functional) = 47 nM Antagonist activity of the compound was determined in mouse vas deferens preparation. ChEMBL. 6207298
IC50 (functional) = 47 nM Antagonist activity of the compound was determined in mouse vas deferens preparation. ChEMBL. 6207298
IC50 (functional) = 108 nM Agonist activity of the compound was determined in guinea pig ileum preparation ChEMBL. 6207298
Ratio (functional) = 0.67 Irreversible antagonist activity is measured from the ratio of agonist activity (IC50) of the compound to that of the control (morphine). ChEMBL. 6207298
Ratio (functional) = 0.68 Irreversible antagonist activity is measured from the ratio of agonist activity (IC50) of the compound to that of the control (morphine). ChEMBL. 6207298
Ratio (functional) = 0.74 Irreversible antagonist activity is measured from the ratio of agonist activity (IC50) of the compound to that of the control (ethylketazocine). ChEMBL. 6207298
Ratio (functional) = 0.92 Irreversible antagonist activity is measured from the ratio of agonist activity (IC50) of the compound to that of the control (ethylketazocine). ChEMBL. 6207298

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 6207298

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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