Detailed information for compound 348365

Basic information

Technical information
  • TDR Targets ID: 348365
  • Name: 2-[4-[5-(2-chloro-4-fluorophenyl)-1-(2,6-dich lorophenyl)-2-oxoquinolin-7-yl]piperidin-1-yl ]-2-methylpropanoic acid
  • MW: 587.896 | Formula: C30H26Cl3FN2O3
  • H donors: 1 H acceptors: 3 LogP: 5.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(c(c1)Cl)c1cc(cc2c1ccc(=O)n2c1c(Cl)cccc1Cl)C1CCN(CC1)C(C(=O)O)(C)C
  • InChi: 1S/C30H26Cl3FN2O3/c1-30(2,29(38)39)35-12-10-17(11-13-35)18-14-22(20-7-6-19(34)16-25(20)33)21-8-9-27(37)36(26(21)15-18)28-23(31)4-3-5-24(28)32/h3-9,14-17H,10-13H2,1-2H3,(H,38,39)
  • InChiKey: RMAKFNMXUQPJOV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-2-oxo-7-quinolyl]-1-piperidyl]-2-methyl-propanoic acid
  • 2-[4-[5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-7-quinolyl]-1-piperidinyl]-2-methylpropanoic acid
  • 2-[4-[5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-2-oxo-quinolin-7-yl]piperidin-1-yl]-2-methyl-propanoic acid
  • 2-[4-[5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-2-keto-7-quinolyl]piperidino]-2-methyl-propionic acid
  • 2-[4-[5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-2-keto-7-quinolyl]-1-piperidyl]-2-methyl-propionic acid

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
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 infantum mitogen-activated protein kinase 3, putative,map kinase 3, 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
Trypanosoma congolense mitogen-activated protein kinase 3, putative 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
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
Trypanosoma brucei mitogen-activated protein kinase 3, putative 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
Schistosoma japonicum ko:K04441 p38 MAP kinase, 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 braziliensis mitogen-activated protein kinase 3, putative,map 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
Echinococcus multilocularis mitogen activated protein kinase 14 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
Echinococcus multilocularis mitogen activated protein kinase 14 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
Echinococcus multilocularis mitogen activated protein kinase 11 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
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 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
Echinococcus multilocularis epidermal growth factor receptor 0.0079 0.2615 0.2615
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0051 0.1069 0.1069
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0047 0.0854 0.0854
Entamoeba histolytica hypothetical protein 0.0051 0.1069 0.5502
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0055 0.1311 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0051 0.1069 0.1069
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0051 0.1069 0.8155
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0067 0.1943 1
Schistosoma mansoni tyrosine kinase 0.0147 0.6356 0.6356
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0051 0.1069 0.5502
Echinococcus granulosus mitogen activated protein kinase 11 0.0152 0.6615 0.6615
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0051 0.1069 0.5502
Echinococcus multilocularis Zinc finger, PHD finger 0.0051 0.1069 0.1069
Schistosoma mansoni tyrosine kinase 0.0079 0.2615 0.2615
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0051 0.1069 0.5502
Echinococcus multilocularis 0.0046 0.0773 0.0773
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0079 0.2615 0.2615
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0055 0.1311 0.1311
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0051 0.1069 0.5502
Schistosoma mansoni tyrosine kinase 0.0047 0.0854 0.0854
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0051 0.1069 0.5502
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0214 1 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0051 0.1069 0.1069
Mycobacterium leprae conserved hypothetical protein 0.0032 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0214 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0051 0.1069 0.4492
Loa Loa (eye worm) phosphatidylinositol 3 0.0051 0.1069 0.1069
Leishmania major phosphatidylinositol 4-kinase, putative 0.0055 0.1311 0.1981
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0051 0.1069 0.8155
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0067 0.1943 0.1943
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0055 0.1311 0.1981
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0051 0.1069 0.1069
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.6615 1
Schistosoma mansoni tyrosine kinase 0.0047 0.0854 0.0854
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0067 0.1943 0.2937
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0051 0.1069 0.1616
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.6615 0.6615
Onchocerca volvulus 0.0214 1 0.5
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.6615 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0067 0.1943 0.1943
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0051 0.1069 0.5502
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0051 0.1069 0.8155
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0051 0.1069 0.1616
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0055 0.1311 0.1311
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0067 0.1943 0.1943
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.6615 0.6615
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0067 0.1943 1
Echinococcus multilocularis epidermal growth factor receptor 0.0147 0.6356 0.6356
Echinococcus granulosus mitogen activated protein kinase 14 0.0152 0.6615 0.6615
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0051 0.1069 0.5502
Echinococcus multilocularis 0.0055 0.1311 0.1311
Loa Loa (eye worm) TK/INSR protein kinase 0.0047 0.0854 0.0854
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0075 0.2379 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0214 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0051 0.1069 0.5502
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0067 0.1943 0.2937
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.6615 0.6615
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0051 0.1069 0.1069
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0051 0.1069 0.1616
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0067 0.1943 0.1943
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0051 0.1069 0.5502
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0152 0.6615 0.6615
Echinococcus granulosus insulin receptor 0.0047 0.0854 0.0854
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0051 0.1069 0.5502
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0214 1 1
Brugia malayi Furin-like cysteine rich region family protein 0.0147 0.6356 0.6356
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0051 0.1069 0.5502
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.1311 0.1311
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0051 0.1069 0.1069
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0152 0.6615 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0055 0.1311 0.1981
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0214 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0051 0.1069 0.5502
Echinococcus granulosus epidermal growth factor receptor 0.0147 0.6356 0.6356
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0067 0.1943 0.2937
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0051 0.1069 0.1616
Giardia lamblia Phosphatidylinositol 4-kinase 0.0055 0.1311 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0051 0.1069 0.5502
Echinococcus granulosus epidermal growth factor receptor 0.0079 0.2615 0.2615
Brugia malayi Protein kinase domain containing protein 0.0047 0.0854 0.0854
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0051 0.1069 0.1069
Loa Loa (eye worm) phosphatidylinositol kinase 0.0214 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0214 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0055 0.1311 0.1311
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0055 0.1311 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0214 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0047 0.0874 0.3672
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.6615 0.6615
Loa Loa (eye worm) TK/EGFR protein kinase 0.0147 0.6356 0.6356
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0214 1 1
Echinococcus multilocularis insulin receptor 0.0047 0.0854 0.0854
Brugia malayi P38 map kinase family protein 2 0.0152 0.6615 0.6615
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0067 0.1943 0.2937
Mycobacterium tuberculosis Conserved hypothetical protein 0.0032 0 0.5
Schistosoma mansoni tyrosine kinase 0.0078 0.2569 0.2569
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0051 0.1069 0.1069
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0051 0.1069 0.5502
Loa Loa (eye worm) phosphatidylinositol 3 0.0214 1 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0067 0.1943 1
Schistosoma mansoni tyrosine kinase 0.0078 0.2569 0.2569
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0051 0.1069 0.5502
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0051 0.1069 0.1069
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0051 0.1069 0.1069
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0152 0.6615 1
Schistosoma mansoni tyrosine kinase 0.0078 0.2569 0.2569
Onchocerca volvulus 0.0214 1 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0047 0.0854 0.0854
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0067 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0051 0.1069 0.1069
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0055 0.1311 0.1981
Leishmania major phosphatidylinositol 3-kinase, putative 0.0051 0.1069 0.1616
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0051 0.1069 0.1069
Schistosoma mansoni tyrosine kinase 0.0079 0.2615 0.2615

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.84 nM Inhibition of P38 alpha MAPK ChEMBL. 16242322
IC50 (binding) = 0.84 nM Inhibition of P38 alpha MAPK ChEMBL. 16242322
IC50 (functional) = 3.75 nM Inhibition of TNF alpha release in THP1 cells ChEMBL. 16242322
IC50 (functional) = 3.75 nM Inhibition of TNF alpha release in THP1 cells ChEMBL. 16242322
IC50 (functional) = 79.1 nM Inhibition of LPS stimulated TNF alpha release in whole blood ChEMBL. 16242322
IC50 (functional) = 79.1 nM Inhibition of LPS stimulated TNF alpha release in whole blood ChEMBL. 16242322

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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