Detailed information for compound 1807596

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.457 | Formula: C15H18N4O6S2
  • H donors: 2 H acceptors: 5 LogP: 2.14 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOCc1ccsc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC
  • InChi: 1S/C15H18N4O6S2/c1-4-6-25-9-10-5-7-26-13(10)27(21,22)19-15(20)18-14-16-11(23-2)8-12(17-14)24-3/h4-5,7-8H,1,6,9H2,2-3H3,(H2,16,17,18,19,20)
  • InChiKey: HEEWQSBRRNFXKA-UHFFFAOYSA-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 tyrosine kinase 0.0184 0.1912 0.1843
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0514 1 1
Brugia malayi Furin-like cysteine rich region family protein 0.0343 0.5795 0.5759
Schistosoma mansoni tyrosine kinase 0.0343 0.5795 0.5759
Loa Loa (eye worm) TK/EGFR protein kinase 0.0343 0.5795 0.5759
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0514 1 1
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0514 1 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0109 0.0084 0.0084
Echinococcus multilocularis epidermal growth factor receptor 0.0343 0.5795 0.5795
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0514 1 1
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0514 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0184 0.1912 0.1912
Toxoplasma gondii fructose-bisphospatase II 0.0514 1 1
Schistosoma mansoni tyrosine kinase 0.0184 0.1912 0.1843
Schistosoma mansoni tyrosine kinase 0.0182 0.1864 0.1795
Echinococcus granulosus epidermal growth factor receptor 0.0184 0.1912 0.1843
Echinococcus granulosus epidermal growth factor receptor 0.0343 0.5795 0.5759
Schistosoma mansoni tyrosine kinase 0.0182 0.1864 0.1795
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0514 1 1
Leishmania major 0.0514 1 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0184 0.1912 0.1843
Echinococcus multilocularis insulin receptor 0.0109 0.0084 0.0084
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0514 1 1
Schistosoma mansoni tyrosine kinase 0.0182 0.1864 0.1795

Activities

Activity type Activity value Assay description Source Reference
MED (ADMET) = 0.313 g/acre Toxicity in two leaf stage of Oryza sativa var. Nihonbare (rice) assessed as dose required to selectivity to Oryza sativa 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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