Detailed information for compound 814037

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.52 | Formula: C18H29N5O3S
  • H donors: 1 H acceptors: 4 LogP: 1.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(o1)CN1CCc2n(CC1)c(nn2)C(C(C)C)NS(=O)(=O)C
  • InChi: 1S/C18H29N5O3S/c1-5-14-6-7-15(26-14)12-22-9-8-16-19-20-18(23(16)11-10-22)17(13(2)3)21-27(4,24)25/h6-7,13,17,21H,5,8-12H2,1-4H3
  • InChiKey: SLAZZZNRKPQQSM-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
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0685 0.5822 0.5852
Onchocerca volvulus 0.0286 0 0.5
Echinococcus multilocularis tumor protein p63 0.0393 0.1565 0.2688
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0286 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0968 0.9949 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.029 0.0051 0.0088
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.029 0.0051 0.0051
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.029 0.0051 0.0051
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.029 0.0051 0.0088
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.029 0.0051 0.0051
Echinococcus granulosus tumor protein p63 0.0393 0.1565 0.1573
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.029 0.0051 0.0051
Schistosoma mansoni serine/threonine protein kinase 0.029 0.0051 0.0051
Brugia malayi Protein kinase domain containing protein 0.029 0.0051 0.0051
Schistosoma mansoni protein kinase 0.0971 1 1
Echinococcus granulosus protein kinase 0.0685 0.5822 0.5852
Schistosoma mansoni protein kinase 0.029 0.0051 0.0051
Schistosoma mansoni serine/threonine protein kinase 0.029 0.0051 0.0051
Schistosoma mansoni protein kinase 0.0685 0.5822 0.5822
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.029 0.0051 0.0088
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0286 0 0.5
Echinococcus multilocularis 0.0685 0.5822 1
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0968 0.9949 1
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0286 0 0.5

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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