Detailed information for compound 1714562

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.295 | Formula: C14H13Cl2NOS2
  • H donors: 1 H acceptors: 1 LogP: 6.5 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1cc(sc1Cl)Cl)\CSc1ccccc1CC
  • InChi: 1S/C14H13Cl2NOS2/c1-2-9-5-3-4-6-12(9)19-8-11(17-18)10-7-13(15)20-14(10)16/h3-7,18H,2,8H2,1H3/b17-11+
  • InChiKey: UCAYBWWMMATMRK-GZTJUZNOSA-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
Trichomonas vaginalis mitogen-activated protein kinase kinase kinase 3, MAPKKK3, MEKK3, putative 0.0527 0.2208 0.2086
Trichomonas vaginalis STE family protein kinase 0.0937 1 1
Entamoeba histolytica protein kinase, putative 0.0419 0.0154 0.0154
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0937 1 1
Entamoeba histolytica protein kinase, putative 0.0419 0.0154 0.0154
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0527 0.2208 0.2242
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0937 1 1
Trichomonas vaginalis STE family protein kinase 0.0937 1 1
Echinococcus multilocularis PAK box P21 Rho binding 0.0419 0.0154 0.0154
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0937 1 1
Brugia malayi serine/threonine-protein kinase PAK 7 0.0797 0.7336 0.7336
Schistosoma mansoni protein kinase 0.0937 1 1
Brugia malayi p21/Cdc42/Rac1-activated kinase 0.0527 0.2208 0.2208
Entamoeba histolytica protein kinase, putative 0.0419 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0929 0.9846 1
Trypanosoma cruzi p21-activated kinase 3, putative 0.0527 0.2208 0.5
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0527 0.2208 0.5
Giardia lamblia Kinase, STE STE20 0.0937 1 0.5
Schistosoma mansoni protein kinase 0.0937 1 1
Trichomonas vaginalis STE family protein kinase 0.0937 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0527 0.2208 0.2208
Trichomonas vaginalis STE family protein kinase 0.0937 1 1
Schistosoma mansoni protein kinase 0.0419 0.0154 0.0154
Entamoeba histolytica protein kinase, putative 0.0937 1 1
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0527 0.2208 0.2242
Schistosoma mansoni serine/threonine protein kinase 0.0527 0.2208 0.2208
Echinococcus granulosus serine:threonine protein kinase PAK 1 0.0519 0.2054 0.2054
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0937 1 1
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0797 0.7336 0.745
Entamoeba histolytica p21-activated kinase 0.0937 1 1
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0937 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0929 0.9846 0.9844
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0937 1 1

Activities

Activity type Activity value Assay description Source Reference
%max (binding) = 63 % Positive ago-allosteric modulation of GLP2R overexpressed in human SE302 cells assessed as placental alkaline phosphatase activation at 25 uM measured on day 3 by Alamar Blue assay relative to 100 pM GLP2 ChEMBL. 22944117

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.

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