Detailed information for compound 712518

Basic information

Technical information
  • TDR Targets ID: 712518
  • Name: 2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol- 3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)a cetamide
  • MW: 439.529 | Formula: C21H18FN5OS2
  • H donors: 1 H acceptors: 4 LogP: 4.26 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(SCC(=O)Nc2scc(n2)c2ccccc2)nnc1c1ccccc1F
  • InChi: 1S/C21H18FN5OS2/c1-2-27-19(15-10-6-7-11-16(15)22)25-26-21(27)30-13-18(28)24-20-23-17(12-29-20)14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,23,24,28)
  • InChiKey: KGWNRSJYZZPXHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)acetamide
  • 2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenyl-2-thiazolyl)acetamide
  • 2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylthiazol-2-yl)acetamide
  • 2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide
  • STK186928

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
Brugia malayi Protein kinase domain containing protein 0.0063 0.0337 0.0337
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0054 0.012 0.2833
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.047 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0054 0.012 0.012
Schistosoma mansoni protein kinase 0.0092 0.103 0.3346
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0178 0.308 1
Brugia malayi Protein kinase domain containing protein 0.0431 0.9055 0.9055
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0168 0.284 0.284
Echinococcus granulosus hypothetical protein 0.0062 0.0318 0.1033
Onchocerca volvulus 0.015 0.2401 0.8388
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0066 0.0417 0.0417
Loa Loa (eye worm) hypothetical protein 0.0087 0.0925 0.0925
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0066 0.0423 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0066 0.0423 1
Echinococcus multilocularis CDC7 cell division cycle 7 0.0063 0.0337 0.1095
Echinococcus granulosus rho-associated protein kinase 1 0.0154 0.2507 0.814
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0168 0.284 0.9222
Brugia malayi Homeodomain interacting protein kinase protein 1 0.0178 0.308 0.308
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0431 0.9055 0.9055
Schistosoma mansoni serine/threonine protein kinase 0.0178 0.308 1
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0178 0.308 0.308
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.012 0.2833
Entamoeba histolytica protein kinase domain containing protein 0.0054 0.012 0.0389
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0423 0.1374
Onchocerca volvulus 0.0154 0.2507 0.8775
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.0337 0.797
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0054 0.012 0.0389
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0423 0.1374
Plasmodium vivax glycogen synthase kinase 3, putative 0.0054 0.012 0.2833
Loa Loa (eye worm) hypothetical protein 0.0062 0.0318 0.0318
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0168 0.284 0.9222
Plasmodium falciparum protein serine/threonine kinase-1 0.0066 0.0423 1
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.0337 0.797
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0066 0.0423 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0066 0.0423 1
Entamoeba histolytica protein kinase domain containing protein 0.0178 0.308 1
Brugia malayi intracellular kinase 0.0054 0.012 0.012
Echinococcus multilocularis dual specificity protein kinase clk2 0.0066 0.0423 0.1374
Giardia lamblia Kinase, CMGC GSK 0.0054 0.012 0.2833
Onchocerca volvulus 0.0063 0.0337 0.0799
Trichomonas vaginalis CMGC family protein kinase 0.0066 0.0423 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.012 0.2833
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0168 0.284 0.284
Giardia lamblia Kinase, CMGC GSK 0.0054 0.012 0.2833
Schistosoma mansoni serine/threonine protein kinase 0.0154 0.2507 0.814
Brugia malayi Protein kinase domain containing protein 0.0066 0.0423 0.0423
Echinococcus multilocularis 0.0066 0.0417 0.1355
Trypanosoma brucei protein kinase, putative 0.0054 0.012 0.2833
Echinococcus granulosus protein kinase 0.0066 0.0417 0.1355
Leishmania major protein kinase, putative 0.0066 0.0423 1
Loa Loa (eye worm) CDC7 protein kinase 0.0063 0.0337 0.0337
Brugia malayi Protein kinase domain containing protein 0.0168 0.284 0.284
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0066 0.0423 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0054 0.012 0.2833
Echinococcus granulosus protein kinase shaggy 0.0054 0.012 0.0389
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0054 0.012 0.012
Entamoeba histolytica protein kinase domain containing protein 0.0054 0.012 0.0389
Entamoeba histolytica protein kinase, putative 0.0054 0.012 0.0389
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0066 0.0423 1
Plasmodium falciparum glycogen synthase kinase 3 0.0054 0.012 0.2833
Brugia malayi probable protein kinase 0.0092 0.103 0.103
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0168 0.284 1
Echinococcus multilocularis 0.0062 0.0318 0.1033
Schistosoma mansoni serine/threonine protein kinase 0.0168 0.284 0.9222
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0087 0.0925 0.3004
Plasmodium vivax serine/threonine kinase-1, putative 0.0066 0.0423 1
Echinococcus granulosus CDC7 cell division cycle 7 0.0063 0.0337 0.1095
Trichomonas vaginalis CMGC family protein kinase 0.0063 0.0337 0.797
Echinococcus multilocularis rho associated protein kinase 0.0154 0.2507 0.814
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0054 0.012 0.2833
Onchocerca volvulus 0.0063 0.0337 0.0799
Schistosoma mansoni protein kinase 0.0066 0.0417 0.1355
Giardia lamblia Kinase, CDC7 0.0063 0.0337 0.797
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0066 0.0423 1
Echinococcus multilocularis protein kinase shaggy 0.0054 0.012 0.0389
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.0337 0.1095
Echinococcus granulosus dual specificity protein kinase clk2 0.0066 0.0423 0.1374
Leishmania major protein kinase, putative 0.0066 0.0423 1
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0066 0.0423 0.0423
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0168 0.284 0.284
Giardia lamblia Kinase, CMGC CLK 0.0066 0.0423 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0054 0.012 0.0389
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0178 0.308 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0054 0.012 0.0389

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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