Detailed information for compound 927383

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 330.362 | Formula: C15H14N4O3S
  • H donors: 3 H acceptors: 4 LogP: 0.96 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc2c(c1)[nH]nc2c1cccc(c1)S(=O)(=O)N
  • InChi: 1S/C15H14N4O3S/c1-9(20)17-11-5-6-13-14(8-11)18-19-15(13)10-3-2-4-12(7-10)23(16,21)22/h2-8H,1H3,(H,17,20)(H,18,19)(H2,16,21,22)
  • InChiKey: VBGRJUHCSLAQJQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TTK protein kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129339 All targets in OG5_129339
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Loa Loa (eye worm) TTK protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Echinococcus multilocularis dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Onchocerca volvulus Dual specificity protein kinase TTK homolog Get druggable targets OG5_129339 All targets in OG5_129339
Candida albicans protein threonine/tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Giardia lamblia Kinase, TTK Get druggable targets OG5_129339 All targets in OG5_129339
Schistosoma japonicum ko:K05501 TetR/AcrR family transcriptional regulator, putative Get druggable targets OG5_129339 All targets in OG5_129339
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
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0163 0.3388 0.9991
Leishmania major serine-threonine protein kinase-like protein 0.0002 0 0.5
Entamoeba histolytica protein kinase, putative 0.0163 0.339 1
Leishmania major protein kinase, putative 0.0002 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0002 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.1826 0.5
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0476 1 1
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0089 0.1826 0.5
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0163 0.339 1
Schistosoma mansoni serine/threonine protein kinase 0.0163 0.339 1
Entamoeba histolytica protein kinase, putative 0.0163 0.339 1
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0163 0.339 1
Trypanosoma brucei Forkhead Kinase, putative 0.0002 0 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0163 0.3388 0.9991
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.1826 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0002 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0002 0 0.5
Giardia lamblia Kinase, TTK 0.0089 0.1826 0.5
Leishmania major protein kinase, putative 0.0002 0 0.5
Leishmania major protein kinase, putative 0.0002 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 18 uM Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay ChEMBL. 25043312

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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