Detailed information for compound 410605

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.651 | Formula: C21H44N2O2S
  • H donors: 2 H acceptors: 2 LogP: 7.85 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCC/C=C\CCCCCCCNS(=O)(=O)NCCC
  • InChi: 1S/C21H44N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h12-13,22-23H,3-11,14-21H2,1-2H3/b13-12-
  • InChiKey: FLGBITCLLJQKAX-SEYXRHQNSA-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
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0438 1 1
Echinococcus multilocularis Excitatory amino acid transporter 0.0438 1 1
Brugia malayi Protein kinase domain containing protein 0.015 0.2841 0.0845
Schistosoma mansoni tyrosine kinase 0.0121 0.2126 0.1558
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0123 0.218 0.1616
Schistosoma mansoni tyrosine kinase 0.0123 0.218 0.1616
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0673 0.5
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0194 0.3943 0.3943
Treponema pallidum glutamate transporter 0.0194 0.3943 0.5
Echinococcus granulosus neutral amino acid transporter A 0.0438 1 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.2787 0.0776
Echinococcus granulosus excitatory amino acid transporter 2 0.0438 1 1
Schistosoma mansoni tyrosine kinase 0.0123 0.218 0.1616
Echinococcus multilocularis epidermal growth factor receptor 0.0123 0.218 0.218
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0194 0.3943 0.3506
Schistosoma mansoni tyrosine kinase 0.027 0.5845 0.5545
Treponema pallidum glutamate/aspartate transporter 0.0194 0.3943 0.5
Echinococcus multilocularis excitatory amino acid transporter 3 0.0438 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.0438 1 1
Schistosoma mansoni tyrosine kinase 0.0123 0.218 0.1616
Echinococcus granulosus insulin receptor 0.027 0.5845 0.5545
Echinococcus multilocularis Excitatory amino acid transporter 0.0438 1 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.027 0.5845 0.5545
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0673 0.0673
Echinococcus multilocularis neutral amino acid transporter A 0.0438 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.0438 1 1
Loa Loa (eye worm) TK/INSR protein kinase 0.027 0.5845 0.4687
Schistosoma mansoni tyrosine kinase 0.027 0.5845 0.5545
Echinococcus multilocularis neutral amino acid transporter A 0.0438 1 1
Echinococcus granulosus excitatory amino acid transporter 2 0.0438 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0438 1 1
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0438 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0673 0.5
Brugia malayi Protein kinase domain containing protein 0.027 0.5845 0.4687
Schistosoma mansoni tyrosine kinase 0.0121 0.2126 0.1558
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0673 0.5
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0438 1 0.5
Echinococcus granulosus neutral amino acid transporter 0.0438 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0123 0.218 0.218
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0194 0.3943 0.3506
Echinococcus multilocularis excitatory amino acid transporter 2 0.0438 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0673 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0422 0.9625 0.9598
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0438 1 1
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0438 1 0.5
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0194 0.3943 0.3943
Echinococcus multilocularis excitatory amino acid transporter 2 0.0438 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0123 0.218 0.1616
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.027 0.5845 0.5845
Loa Loa (eye worm) excitatory amino acid transporter 0.0438 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0123 0.218 0.1616
Echinococcus granulosus sodium:dicarboxylate symporter 0.0438 1 1
Chlamydia trachomatis glutamate symporter 0.0438 1 1
Echinococcus granulosus neutral amino acid transporter A 0.0438 1 1
Echinococcus multilocularis insulin receptor 0.027 0.5845 0.5845
Schistosoma mansoni tyrosine kinase 0.0121 0.2126 0.1558
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0673 0.5
Echinococcus granulosus excitatory amino acid transporter 3 0.0438 1 1
Echinococcus multilocularis neutral amino acid transporter A 0.0438 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 11 uM Activation of human PPARalpha by GST pull down assay ChEMBL. 17228882

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.