Detailed information for compound 228614

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.362 | Formula: C12H22O10S
  • H donors: 7 H acceptors: 7 LogP: -3.76 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCC1OC(OC[C@@H]2O[C@@H](O)C([C@H]([C@@H]2O)O)S)C(C(C1O)O)O
  • InChi: 1S/C12H22O10S/c13-1-3-5(14)7(16)9(18)12(22-3)20-2-4-6(15)8(17)10(23)11(19)21-4/h3-19,23H,1-2H2/t3?,4-,5?,6-,7?,8+,9?,10?,11+,12?/m1/s1
  • InChiKey: WWQGFVMHCVKSPY-BMRJTOPUSA-N  

Network

Hover on a compound node to display the structore

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
Loa Loa (eye worm) hypothetical protein 0.0212 0.1596 0.8469
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.1184 1 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.1764 0.9357
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1184 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0462 0.3763 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0462 0.3763 0.3763
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.1184 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0462 0.3763 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0238 0.1828 0.4858
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0462 0.3763 1
Brugia malayi follicle stimulating hormone receptor 0.0245 0.1885 0.1885
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.1184 1 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0094 0.0251
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0238 0.1828 0.4858
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0094 0.0094
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0462 0.3763 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0462 0.3763 1
Brugia malayi Zinc finger, C2H2 type family protein 0.0462 0.3763 0.3763
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0094 0.0251
Schistosoma mansoni inositol monophosphatase 0.0038 0.0094 0.0094
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0462 0.3763 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1184 1 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0094 0.0094
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0094 0.0251
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0462 0.3763 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0238 0.1828 0.1828
Plasmodium falciparum dihydroorotate dehydrogenase 0.1184 1 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0094 0.0094
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0094 0.0251
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0462 0.3763 1
Loa Loa (eye worm) inositol-1 0.0038 0.0094 0.0501
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0462 0.3763 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.1184 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0094 0.0251
Schistosoma mansoni inositol monophosphatase 0.0038 0.0094 0.0094
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0094 0.0094
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.1184 1 1
Brugia malayi Inositol-1 0.0038 0.0094 0.0094
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0245 0.1885 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0462 0.3763 1
Leishmania major dihydroorotate dehydrogenase 0.1184 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.1184 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0462 0.3763 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1184 1 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.1184 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1184 1 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.1184 1 1

Activities

Activity type Activity value Assay description Source Reference
Log Ki (binding) = 2.7 mM Inhibitory activity against rabbit muscle glycogen phosphorylase ChEMBL. 9406599

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.