Detailed information for compound 111578

Basic information

Technical information
  • TDR Targets ID: 111578
  • Name: 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylph enyl)-1,3-benzothiazole-6-carboxamide
  • MW: 430.522 | Formula: C24H22N4O2S
  • H donors: 3 H acceptors: 3 LogP: 5.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nc2c(s1)cc(cc2)C(=O)Nc1c(C)cc(cc1C)C)Nc1ccccc1
  • InChi: 1S/C24H22N4O2S/c1-14-11-15(2)21(16(3)12-14)27-22(29)17-9-10-19-20(13-17)31-24(26-19)28-23(30)25-18-7-5-4-6-8-18/h4-13H,1-3H3,(H,27,29)(H2,25,26,28,30)
  • InChiKey: UIIPZCQZMVEWSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[anilino(oxo)methyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
  • N-mesityl-2-(phenylcarbamoylamino)-1,3-benzothiazole-6-carboxamide
  • 2-[[oxo-(phenylamino)methyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens LCK proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References

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
Toxoplasma gondii fructose-bisphospatase II 0.3617 1 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0006 0 0.5
Onchocerca volvulus 0.0006 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0013 0.0012
Schistosoma mansoni adapter molecule crk 0.0009 0.0009 0.0009
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.0013 0.0012
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.0013 0.0012
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0009 0.0009
Onchocerca volvulus 0.0006 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.0013 0.0012
Onchocerca volvulus 0.0006 0 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.0013 0.0012
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.0013 0.0012
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0013 0.0012
Brugia malayi Sex muscle abnormal protein 5 0.0009 0.0009 0.0009
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0013 0.0012
Echinococcus granulosus fructose 16 bisphosphatase 1 0.3617 1 1
Echinococcus granulosus c src tyrosine kinase 0.001 0.0013 0.0012
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.0009 0.0009
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.0013 0.0012
Leishmania major 0.3617 1 0.5
Schistosoma mansoni tyrosine kinase 0.001 0.0013 0.0013
Schistosoma mansoni fructose-16-bisphosphatase-related 0.3617 1 1
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.3617 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.0013 0.0012
Onchocerca volvulus 0.0006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0009 0.0009
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0009 0.0009 0.0009
Echinococcus multilocularis NCK adaptor protein 0.0009 0.0009 0.0009
Trypanosoma brucei fructose-1,6-bisphosphatase 0.3617 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0013 0.0012
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.0013 0.0012
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0013 0.0012
Echinococcus multilocularis growth factor receptor bound protein 2 0.0009 0.0009 0.0009
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0009 0.0009
Echinococcus granulosus NCK adaptor protein 0.0009 0.0009 0.0009
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.0009 0.0009
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0009 0.0009
Echinococcus granulosus growth factor receptor bound protein 2 0.0009 0.0009 0.0009
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.3617 1 1
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0009 0.0009
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.0013 0.0012
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0013 0.0012
Brugia malayi SRC-1 0.001 0.0013 0.0012
Schistosoma mansoni tyrosine kinase 0.001 0.0013 0.0013
Schistosoma mansoni nck2/grb4 0.0009 0.0009 0.0009
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.3617 1 1
Schistosoma mansoni tyrosine kinase 0.001 0.0013 0.0013
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0013 0.0012
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.3617 1 1
Onchocerca volvulus 0.0006 0 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0013 0.0013
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0013 0.0012
Loa Loa (eye worm) SRC-1 0.001 0.0013 0.0012
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.0013 0.0012
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0013 0.0012
Echinococcus granulosus tyrosine protein kinase Lyn 0.001 0.0013 0.0012
Schistosoma mansoni tyrosine kinase 0.001 0.0013 0.0013
Onchocerca volvulus 0.0006 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0013 0.0012
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0013 0.0012

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.38 uM Inhibition of human Lck protein tyrosine kinase ChEMBL. 12798323
IC50 (binding) = 0.38 uM Inhibition of human Lck protein tyrosine kinase ChEMBL. 12798323

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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