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

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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