Detailed information for compound 840284

Basic information

Technical information
  • TDR Targets ID: 840284
  • Name: N-(3,4-difluorophenyl)-1-[(3-methyl-2-oxo-1,3 -benzoxazol-6-yl)sulfonyl]piperidine-4-carbox amide
  • MW: 451.444 | Formula: C20H19F2N3O5S
  • H donors: 1 H acceptors: 4 LogP: 2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C)Nc1ccc(c(c1)F)F
  • InChi: 1S/C20H19F2N3O5S/c1-24-17-5-3-14(11-18(17)30-20(24)27)31(28,29)25-8-6-12(7-9-25)19(26)23-13-2-4-15(21)16(22)10-13/h2-5,10-12H,6-9H2,1H3,(H,23,26)
  • InChiKey: LWBQFIGIXFGKOE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,4-difluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-4-piperidinecarboxamide
  • N-(3,4-difluorophenyl)-1-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]isonipecotamide

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
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0111 0.2139 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.1564 0.2475
Schistosoma mansoni tyrosine kinase 0.0158 0.3217 0.3022
Entamoeba histolytica protein kinase, putative 0.0111 0.2139 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0111 0.2139 1
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0052 0.0784 0.0519
Schistosoma mansoni tyrosine kinase 0.0094 0.1756 0.1519
Loa Loa (eye worm) hypothetical protein 0.0082 0.1482 0.2345
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0094 0.1756 0.1909
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0111 0.2139 0.5
Loa Loa (eye worm) AUR protein kinase 0.0111 0.2139 0.3385
Loa Loa (eye worm) hypothetical protein 0.0286 0.6162 0.975
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0158 0.3217 0.3796
Echinococcus multilocularis ryanodine receptor 44f 0.0286 0.6162 0.7602
Echinococcus multilocularis insulin receptor 0.0094 0.1756 0.1909
Giardia lamblia Aurora kinase 0.0111 0.2139 0.5
Plasmodium falciparum serine/threonine protein kinase, putative 0.0111 0.2139 0.5
Schistosoma mansoni protein kinase 0.0111 0.2139 0.1913
Loa Loa (eye worm) AUR protein kinase 0.0111 0.2139 0.3385
Echinococcus granulosus ryanodine receptor 44f 0.0366 0.8017 1
Echinococcus multilocularis 0.009 0.1657 0.1781
Schistosoma mansoni tyrosine kinase 0.0155 0.3147 0.295
Loa Loa (eye worm) ryanodine receptor 0.0169 0.3473 0.5496
Brugia malayi Protein kinase domain containing protein 0.0094 0.1756 0.1756
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0055 0.0851 0.0588
Schistosoma mansoni hypothetical protein 0.0111 0.2151 0.1925
Trichomonas vaginalis AGC family protein kinase 0.0111 0.2139 1
Echinococcus multilocularis aurora kinase A 0.0111 0.2139 0.2403
Entamoeba histolytica protein kinase, putative 0.0111 0.2139 1
Brugia malayi serine/threonine kinase 12 0.0111 0.2139 0.2139
Brugia malayi MIR domain containing protein 0.003 0.028 0.028
Onchocerca volvulus 0.003 0.028 0.5
Schistosoma mansoni tyrosine kinase 0.0158 0.3217 0.3022
Loa Loa (eye worm) TK/EGFR protein kinase 0.0292 0.632 1
Trichomonas vaginalis AGC family protein kinase 0.0111 0.2139 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0094 0.1756 0.2779
Entamoeba histolytica protein kinase domain containing protein 0.0111 0.2139 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0111 0.2139 1
Brugia malayi serine/threonine-protein kinase 6 0.0111 0.2139 0.2139
Echinococcus granulosus epidermal growth factor receptor 0.0292 0.632 0.7806
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0111 0.2139 0.2403
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0163 0.3338 1
Schistosoma mansoni tyrosine kinase 0.0155 0.3147 0.295
Brugia malayi serine/threonine protein kinase 6 0.0111 0.2139 0.2139
Loa Loa (eye worm) hypothetical protein 0.0055 0.0851 0.1346
Echinococcus multilocularis epidermal growth factor receptor 0.0158 0.3217 0.3796
Echinococcus granulosus epidermal growth factor receptor 0.0158 0.3217 0.3796
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0094 0.1756 0.1909
Loa Loa (eye worm) ryanodine receptor 0.0107 0.204 0.3229
Echinococcus granulosus insulin receptor 0.0094 0.1756 0.1909
Echinococcus granulosus aurora kinase A 0.0111 0.2139 0.2403
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0163 0.3338 1
Schistosoma mansoni tyrosine kinase 0.0094 0.1756 0.1519
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0138 0.2767 0.2559
Echinococcus multilocularis epidermal growth factor receptor 0.0292 0.632 0.7806
Toxoplasma gondii aurora kinase 0.0111 0.2139 0.5
Trichomonas vaginalis AGC family protein kinase 0.0111 0.2139 1
Loa Loa (eye worm) AUR protein kinase 0.0111 0.2139 0.3385
Schistosoma mansoni tyrosine kinase 0.0292 0.632 0.6214
Brugia malayi Furin-like cysteine rich region family protein 0.0292 0.632 0.632
Echinococcus multilocularis ryanodine receptor 44f 0.0366 0.8017 1
Schistosoma mansoni tyrosine kinase 0.0155 0.3147 0.295
Entamoeba histolytica protein kinase , putative 0.0111 0.2139 1
Leishmania major protein kinase, putative 0.0111 0.2139 1
Trichomonas vaginalis AGC family protein kinase 0.0111 0.2139 1
Brugia malayi cation channel family protein 0.0193 0.4036 0.4036
Echinococcus granulosus ryanodine receptor 44f 0.0286 0.6162 0.7602
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0111 0.2139 0.2403
Schistosoma mansoni ryanodine receptor related 0.0452 1 1
Loa Loa (eye worm) MIR domain-containing protein 0.003 0.028 0.0442
Schistosoma mansoni serine/threonine protein kinase 0.0111 0.2139 0.1913

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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