Detailed information for compound 1123186

Basic information

Technical information
  • TDR Targets ID: 1123186
  • Name: 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6 -methyl-2-oxopyridin-1-yl]methyl]benzonitrile
  • MW: 445.257 | Formula: C21H15BrF2N2O2
  • H donors: 0 H acceptors: 2 LogP: 4.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1Cn1c(C)cc(c(c1=O)Br)OCc1ccc(cc1F)F
  • InChi: 1S/C21H15BrF2N2O2/c1-13-8-19(28-12-16-6-7-17(23)9-18(16)24)20(22)21(27)26(13)11-15-5-3-2-4-14(15)10-25/h2-9H,11-12H2,1H3
  • InChiKey: IEDSFKUOLQRVGX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridyl]methyl]benzonitrile
  • 2-[[3-bromo-4-(2,4-difluorobenzyl)oxy-2-keto-6-methyl-1-pyridyl]methyl]benzonitrile
  • 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-pyridin-1-yl]methyl]benzonitrile

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
Echinococcus multilocularis mitogen activated protein kinase 11 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
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
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
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
Schistosoma japonicum ko:K04441 p38 MAP kinase, 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
Leishmania mexicana mitogen-activated protein kinase 3, putative,map 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 braziliensis mitogen-activated protein kinase 3, putative,map 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
Brugia malayi P38 map kinase family protein 2 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
Trypanosoma congolense 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
Echinococcus multilocularis mitogen activated protein kinase 14 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
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0038 0.0038
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.2433 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.0243
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.0243
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3484 0.3784
Schistosoma mansoni alpha-glucosidase 0.016 0.8515 0.9249
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.1752 0.1752
Brugia malayi TAR-binding protein 0.0072 0.3484 0.3484
Echinococcus multilocularis lysosomal alpha glucosidase 0.0186 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.1704 0.1704
Mycobacterium tuberculosis Probable dehydrogenase 0.0123 0.6397 0.8837
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0411 0.0243
Plasmodium falciparum glutathione reductase 0.0054 0.2433 1
Plasmodium vivax glutathione reductase, putative 0.0054 0.2433 1
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0152 0.807 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0152 0.807 0.807
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0411 0.1287
Trypanosoma brucei trypanothione reductase 0.0054 0.2433 0.2819
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.807 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0126 0.0126
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3484 0.3784
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.0243
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1704 0.1891
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.1704 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.1704 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0411 0.0411
Toxoplasma gondii thioredoxin reductase 0.0054 0.2433 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0042 0.1752 0.1752
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0411 0.1287
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0411 0.0243
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0411 0.0243
Leishmania major trypanothione reductase 0.0054 0.2433 0.2819
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.0243
Loa Loa (eye worm) TAR-binding protein 0.0072 0.3484 0.3484
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.2433 0.2433
Echinococcus granulosus mitogen activated protein kinase 14 0.0152 0.807 0.807
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0038 0.0038
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.2433 0.2433
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0038 0.0038
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0042 0.1752 0.1752
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.7184 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.807 0.807
Loa Loa (eye worm) hypothetical protein 0.0015 0.022 0.022
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0123 0.6397 0.8837
Echinococcus granulosus lysosomal alpha glucosidase 0.0186 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0123 0.6397 0.8837
Brugia malayi P38 map kinase family protein 2 0.0152 0.807 0.807
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.1704 0.1704
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.807 0.807
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.1704 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.1704 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.1704 1
Treponema pallidum NADH oxidase 0.0019 0.0411 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.1594 0.9254
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0137 0.7184 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0123 0.6397 0.8837
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0411 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.1704 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.1704 0.1704
Brugia malayi Thioredoxin reductase 0.0054 0.2433 0.2433
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0137 0.7184 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3484 0.3784
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0411 0.0243
Schistosoma mansoni alpha-glucosidase 0.016 0.8515 0.9249
Plasmodium falciparum thioredoxin reductase 0.0054 0.2433 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.022 0.022
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0186 1 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3484 0.3784
Brugia malayi glutathione reductase 0.0054 0.2433 0.2433
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0411 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.1704 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0411 0.5
Echinococcus granulosus mitogen activated protein kinase 11 0.0152 0.807 0.807
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.3484 0.3484
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.0243
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0411 0.5
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0411 0.0243
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.0243
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0411 0.0446
Loa Loa (eye worm) hypothetical protein 0.0036 0.1434 0.1434
Echinococcus granulosus tar DNA binding protein 0.0072 0.3484 0.3484
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.807 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0186 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.1704 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0123 0.6397 0.8837
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0411 0.0411
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.0243
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.2433 0.2433
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.0038
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0038 0.0038
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.1594 0.9254
Brugia malayi RNA binding protein 0.0072 0.3484 0.3484
Schistosoma mansoni alpha glucosidase 0.0041 0.1704 0.1851
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0152 0.807 1
Mycobacterium tuberculosis Probable reductase 0.0123 0.6397 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0411 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.1704 0.1891
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0038 0.0041
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.1704 0.6397
Loa Loa (eye worm) glutathione reductase 0.0054 0.2433 0.2433
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.807 0.807
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0126 0.0126
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.1974 0.2144
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0411 0.0243
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0411 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.3484 0.3484
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0411 0.0411
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3484 0.3784
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0411 0.0243
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0137 0.7184 1
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.1974 0.2144
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0411 0.0243
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.2433 0.2819
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0411 0.0243
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.1704 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.1704 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.807 0.807
Trypanosoma brucei glucosidase, putative 0.0041 0.1704 0.1891
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.2433 0.2985
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0411 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.1704 0.1704
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1704 0.1891
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0015 0.022 0.0399
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0042 0.1752 0.1752
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0038 0.0041
Loa Loa (eye worm) RNA binding protein 0.0072 0.3484 0.3484
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.0243
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0038 0.0038
Echinococcus multilocularis tar DNA binding protein 0.0072 0.3484 0.3484
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.1704 1
Onchocerca volvulus 0.0107 0.5505 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.2 uM Inhibition of p38alpha ChEMBL. 19751974
IC50 (binding) > 200 uM Inhibition of JNK2 ChEMBL. 19751974

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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