Detailed information for compound 983246

Basic information

Technical information
  • TDR Targets ID: 983246
  • Name: 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluo rophenyl)methoxy]-6-(hydroxymethyl)pyridin-2- one
  • MW: 458.201 | Formula: C19H12BrF4NO3
  • H donors: 1 H acceptors: 2 LogP: 3.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1cc(OCc2ccc(cc2F)F)c(c(=O)n1c1c(F)cccc1F)Br
  • InChi: 1S/C19H12BrF4NO3/c20-17-16(28-9-10-4-5-11(21)6-15(10)24)7-12(8-26)25(19(17)27)18-13(22)2-1-3-14(18)23/h1-7,26H,8-9H2
  • InChiKey: DGKNVUBVVYMFQC-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-pyridinone
  • 3-bromo-4-(2,4-difluorobenzyl)oxy-1-(2,6-difluorophenyl)-6-methylol-2-pyridone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 14 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04441 p38 MAP kinase, putative Get druggable targets OG5_128610 All targets in OG5_128610
Brugia malayi P38 map kinase family protein 2 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania infantum mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma congolense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania donovani mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei gambiense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania braziliensis mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania mexicana mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 14 360 aa 336 aa 33.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0152 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0023 0.0536 0.0536
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0023 0.0536 0.0536
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0023 0.0536 0.0536
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0152 1 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0101 0.6229 1
Echinococcus granulosus nmda type glutamate receptor 0.0081 0.478 0.478
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0023 0.0536 0.0536
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0023 0.0536 0.0536
Echinococcus granulosus glutamate receptor NMDA 0.0077 0.4505 0.4505
Echinococcus granulosus glutamate receptor 2 0.0023 0.0536 0.0536
Echinococcus multilocularis glutamate receptor NMDA 0.0077 0.4505 0.4505
Echinococcus multilocularis glutamate receptor 2 0.002 0.0261 0.0261
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0023 0.0536 0.0536
Echinococcus multilocularis nmda type glutamate receptor 0.0081 0.478 0.478
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 1 0.5
Echinococcus granulosus mitogen activated protein kinase 14 0.0152 1 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0023 0.0536 0.0536
Echinococcus granulosus nmda type glutamate receptor 0.0085 0.5041 0.5041
Echinococcus multilocularis glutamate receptor 2 0.0023 0.0536 0.0536
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0023 0.0536 0.0536
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 1 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 1 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.002 0.0261 0.0261
Echinococcus multilocularis nmda type glutamate receptor 0.0085 0.5041 0.5041
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0152 1 0.5
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 1 1
Echinococcus granulosus mitogen activated protein kinase 11 0.0152 1 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.002 0.0261 0.0261

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.005 uM Inhibition of p38alpha assessed as phosphorylation of fluorescently-labelled MK2 using Hsp27 peptide as substrate after 60 mins by fluorescence assay ChEMBL. 21640588
IC50 (functional) = 0.025 uM Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TNFalpha production treated 1 hr before LPS challenge measured after 18 hrs ChEMBL. 21640588

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21640588

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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