Detailed information for compound 1368258

Basic information

Technical information
  • TDR Targets ID: 1368258
  • Name: 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido [5,6-c][1,2,5]oxadiazine]-6',8'-dione
  • MW: 264.28 | Formula: C12H16N4O3
  • H donors: 0 H acceptors: 2 LogP: 1.11 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1n(C)c2=NC3(CCCCC3)ON=c2c(=O)n1C
  • InChi: 1S/C12H16N4O3/c1-15-9-8(10(17)16(2)11(15)18)14-19-12(13-9)6-4-3-5-7-12/h3-7H2,1-2H3
  • InChiKey: GXETZCPEKGYDMN-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,6-c][1,2,5]oxadiazine]-6',8'-quinone
  • 3H-Pyrimido[5,4-c]1,2,5-oxadiazine-6,8(5H,7H)-dione, 5,7-dimethyl-3-spirocyclohexane-
  • STK177262
  • MLS000027779
  • BAS 00792908
  • SMR000009572

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873

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
Onchocerca volvulus 0.0058 0.0106 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 0.0729 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1431 0.3872 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.3665 1 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.3665 1 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0729 0.0841
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.3665 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1431 0.3872 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.3665 1 0.5
Brugia malayi Zinc finger, C2H2 type family protein 0.1431 0.3872 0.3872
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.3665 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.3665 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0729 0.0841
Loa Loa (eye worm) hypothetical protein 0.018 0.0441 0.5878
Loa Loa (eye worm) hypothetical protein 0.018 0.0441 0.5878
Brugia malayi hypothetical protein 0.003 0.003 0.003
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.3665 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.0713 0.977
Brugia malayi hypothetical protein 0.0286 0.0729 0.0729
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1431 0.3872 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.3665 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.1431 0.3872 0.5
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.3665 1 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.3665 1 1
Leishmania major dihydroorotate dehydrogenase 0.3665 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1431 0.3872 1
Brugia malayi Muscleblind-like protein 0.018 0.0441 0.0441
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.1431 0.3872 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.3665 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1431 0.3872 0.5
Brugia malayi follicle stimulating hormone receptor 0.028 0.0713 0.0713
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1431 0.3872 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1431 0.3872 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1431 0.3872 0.5
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.3665 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1431 0.3872 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0106 0.0106
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1431 0.3872 0.3854
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.3665 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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