Detailed information for compound 949693

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.325 | Formula: C13H15NO9S
  • H donors: 1 H acceptors: 7 LogP: -1.55 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)/C=C\1/C(=O)N2C1S(=O)(=O)[C@@]([C@@H]2C(=O)O)(C)COC(=O)C
  • InChi: 1S/C13H15NO9S/c1-6(15)23-5-13(2)9(12(18)19)14-10(17)7(4-8(16)22-3)11(14)24(13,20)21/h4,9,11H,5H2,1-3H3,(H,18,19)/b7-4-/t9-,11?,13-/m0/s1
  • InChiKey: CCZZGYOJQSVVMQ-IPPICDSHSA-N  

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
Schistosoma mansoni hypothetical protein 0.0324 0.1203 0.1271
Echinococcus granulosus metabotropic glutamate receptor 2 0.167 0.6762 0.6755
Loa Loa (eye worm) hypothetical protein 0.0188 0.0641 0.0641
Echinococcus multilocularis glutamate receptor 2 0.0188 0.0641 0.0622
Echinococcus multilocularis nmda type glutamate receptor 0.0188 0.0641 0.0622
Loa Loa (eye worm) glutamate receptor 0.0784 0.3105 0.3105
Leishmania major extracellular receptor, putative 0.0188 0.0641 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.002 0.002
Brugia malayi Receptor family ligand binding region containing protein 0.0188 0.0641 0.0768
Echinococcus multilocularis metabotropic glutamate receptor 5 0.2455 1 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.0641 0.0641
Brugia malayi Guanylyl cyclase protein 23 0.0188 0.0641 0.0768
Loa Loa (eye worm) hypothetical protein 0.0188 0.0641 0.0641
Brugia malayi metabotropic glutamate receptor type 2 0.0972 0.3879 0.4777
Echinococcus multilocularis metabotropic glutamate receptor 2 0.167 0.6762 0.6755
Loa Loa (eye worm) hypothetical protein 0.0324 0.1203 0.1203
Schistosoma mansoni metabotropic glutamate receptor 0.0972 0.3879 0.4183
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.2267 0.9226 1
Echinococcus granulosus glutamate receptor 2 0.0188 0.0641 0.0622
Echinococcus multilocularis receptor type guanylyl cyclase 0.0188 0.0641 0.0622
Echinococcus granulosus tyrosine kinase 0.0188 0.0641 0.0622
Onchocerca volvulus Poor gastrulation protein homolog 0.0324 0.1203 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.0641 0.0641
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0188 0.0641 0.0641
Schistosoma mansoni glutamate receptor NMDA 0.0188 0.0641 0.066
Echinococcus multilocularis GPCR, family 3, C terminal 0.0324 0.1203 0.1185
Schistosoma mansoni tyrosine kinase 0.0188 0.0641 0.066
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0188 0.0641 0.0768
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0188 0.0641 0.0622
Schistosoma mansoni protein kinase 0.0188 0.0641 0.066
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.001 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0188 0.0641 0.0622
Loa Loa (eye worm) RGC/RGC protein kinase 0.0188 0.0641 0.0641
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0511 0.1977 0.1977
Loa Loa (eye worm) RGC/RGC protein kinase 0.0188 0.0641 0.0641
Schistosoma mansoni metabotropic glutamate receptor 0.167 0.6762 0.7319
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0188 0.0641 0.0622
Echinococcus granulosus receptor type guanylyl cyclase 0.0188 0.0641 0.0622
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0324 0.1203 0.1464
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0188 0.0641 0.0622
Loa Loa (eye worm) hypothetical protein 0.2455 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0188 0.0641 0.0622
Loa Loa (eye worm) glutamate receptor 0.1994 0.8098 0.8098
Loa Loa (eye worm) hypothetical protein 0.0188 0.0641 0.0641
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0188 0.0641 0.0622
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.1807 0.7324 0.9042
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0324 0.1203 1
Schistosoma mansoni tyrosine kinase 0.0188 0.0641 0.066
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0188 0.0641 0.0622
Echinococcus multilocularis tyrosine kinase 0.0188 0.0641 0.0622
Echinococcus granulosus GPCR family 3 C terminal 0.0324 0.1203 0.1185
Brugia malayi Receptor family ligand binding region containing protein 0.0511 0.1977 0.2422
Brugia malayi Metabotropic glutamate receptor precursor. 0.1994 0.8098 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.001 0.5
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0511 0.1977 0.1977
Loa Loa (eye worm) RGC/RGC protein kinase 0.0188 0.0641 0.0641
Echinococcus multilocularis glutamate receptor 2 0.0188 0.0641 0.0622
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0188 0.0641 0.0622
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0188 0.0641 0.0622
Brugia malayi hypothetical protein 0.0188 0.0641 0.0768
Loa Loa (eye worm) hypothetical protein 0.0188 0.0641 0.0641
Echinococcus granulosus atrial natriuretic peptide receptor 0.0188 0.0641 0.0622
Entamoeba histolytica hypothetical protein 0.0188 0.0641 0.5
Loa Loa (eye worm) hypothetical protein 0.0511 0.1977 0.1977
Loa Loa (eye worm) hypothetical protein 0.0188 0.0641 0.0641
Echinococcus granulosus glutamate receptor 2 0.0188 0.0641 0.0622
Trypanosoma cruzi extracellular receptor, putative 0.0188 0.0641 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0188 0.0641 0.0622

Activities

No activities found for this compound.

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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