Detailed information for compound 18991

Basic information

Technical information
  • TDR Targets ID: 18991
  • Name: 4-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-i midazol-2-yl]phenyl]methyl]morpholine
  • MW: 414.475 | Formula: C25H23FN4O
  • H donors: 1 H acceptors: 2 LogP: 3.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1[nH]c(nc1c1ccncc1)c1ccc(cc1)CN1CCOCC1
  • InChi: 1S/C25H23FN4O/c26-22-7-5-19(6-8-22)23-24(20-9-11-27-12-10-20)29-25(28-23)21-3-1-18(2-4-21)17-30-13-15-31-16-14-30/h1-12H,13-17H2,(H,28,29)
  • InChiKey: TZBLUZVIZYBHFL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine
  • 4-[4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzyl]morpholine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
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
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0072 0.0072
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.004 0.0371 0.0371
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.031 0.5451 0.8721
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Echinococcus granulosus intermediate filament protein 0.0032 0.0226 0.0226
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.035 0.6198 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.006 0.0743 0.0661
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.004 0.0371 0.0371
Entamoeba histolytica type A flavoprotein, putative 0.0134 0.2139 1
Echinococcus multilocularis pyruvate kinase 0.0031 0.0202 0.0202
Schistosoma mansoni polycystin 1-related 0.0024 0.0072 0.0116
Trypanosoma cruzi cytochrome P450 reductase, putative 0.035 0.6198 1
Onchocerca volvulus 0.0032 0.0226 0.2422
Trypanosoma brucei NADH-cytochrome b5 reductase-like protein 0.004 0.0371 0.0026
Toxoplasma gondii flavodoxin domain-containing protein 0.0174 0.2886 1
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0226 0.0252
Echinococcus multilocularis mitogen activated protein kinase 3 0.006 0.0743 0.0743
Trypanosoma brucei NADH-dependent fumarate reductase 0.004 0.0371 0.0026
Mycobacterium tuberculosis Probable oxidoreductase 0.004 0.0371 1
Echinococcus multilocularis cytochrome b5 reductase 4 0.004 0.0371 0.0371
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0134 0.2139 0.3451
Entamoeba histolytica type A flavoprotein, putative 0.0134 0.2139 1
Brugia malayi intermediate filament protein 0.0032 0.0226 0.0252
Plasmodium falciparum pyruvate kinase 0.0039 0.0356 0.0575
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0743 0.0661
Echinococcus multilocularis mitogen activated protein kinase 0.006 0.0743 0.0743
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0134 0.2139 0.3051
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.004 0.0371 1
Echinococcus granulosus tumor protein p63 0.0395 0.7042 0.7042
Mycobacterium ulcerans oxidoreductase 0.004 0.0371 0.0026
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.035 0.6198 0.6198
Leishmania major NADH-dependent fumarate reductase, putative 0.004 0.0371 0.0026
Echinococcus multilocularis pyruvate kinase 0.0039 0.0356 0.0356
Brugia malayi flavodoxin family protein 0.035 0.6198 1
Schistosoma mansoni pyruvate kinase 0.0039 0.0356 0.0575
Echinococcus multilocularis musashi 0.0032 0.0226 0.0226
Mycobacterium ulcerans oxygenase 0.004 0.0371 0.0026
Schistosoma mansoni cytochrome B5 0.004 0.0371 0.0599
Entamoeba histolytica type A flavoprotein, putative 0.0134 0.2139 1
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0134 0.2139 0.3051
Leishmania major NADH-dependent fumarate reductase-like protein 0.004 0.0371 0.0026
Trypanosoma cruzi cytochrome P450 reductase, putative 0.035 0.6198 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0216 0.3683 0.5895
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Brugia malayi FAD binding domain containing protein 0.035 0.6198 1
Echinococcus granulosus pyruvate kinase 0.0039 0.0356 0.0356
Leishmania major NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Entamoeba histolytica type A flavoprotein, putative 0.0134 0.2139 1
Plasmodium falciparum ferredoxin--NADP reductase 0.004 0.0371 0.0599
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.035 0.6198 1
Trypanosoma brucei oxidoreductase-protein, putative 0.004 0.0371 0.0026
Plasmodium vivax ferredoxin--NADP reductase, putative 0.004 0.0371 0.0599
Echinococcus multilocularis methionine synthase reductase 0.0216 0.3683 0.3683
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0216 0.3683 0.5943
Schistosoma mansoni loxhd1 0.0024 0.0072 0.0116
Loa Loa (eye worm) pyruvate kinase-PB 0.0027 0.0135 0.0103
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0134 0.2139 0.3451
Mycobacterium ulcerans monooxygenase 0.004 0.0371 0.0026
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0743 0.0661
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.006 0.0743 0.0661
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0134 0.2139 0.3051
Chlamydia trachomatis Na(+)-translocating NADH-quinone reductase subunit F 0.004 0.0371 0.0045
Loa Loa (eye worm) pyruvate kinase 0.0039 0.0356 0.0465
Loa Loa (eye worm) flavodoxin family protein 0.0134 0.2139 0.3374
Schistosoma mansoni diflavin oxidoreductase 0.0174 0.2886 0.4656
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0134 0.2139 0.3051
Leishmania major NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0743 0.0661
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.035 0.6198 1
Trypanosoma cruzi p450 reductase, putative 0.004 0.0371 0.0026
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.035 0.6198 1
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.004 0.0371 0.0026
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Schistosoma mansoni hypothetical protein 0.0024 0.0072 0.0116
Echinococcus multilocularis RUN 0.0024 0.0072 0.0072
Plasmodium falciparum nitric oxide synthase, putative 0.035 0.6198 1
Schistosoma mansoni NADH-cytochrome B5 reductase 0.004 0.0371 0.0599
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.035 0.6198 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0134 0.2139 0.3051
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Brugia malayi Pyruvate kinase, M2 isozyme 0.0039 0.0356 0.0465
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.006 0.0743 0.2573
Giardia lamblia Flavohemoprotein lateral transfer candidate 0.004 0.0371 0.0682
Brugia malayi Pyruvate kinase, muscle isozyme 0.0039 0.0356 0.0465
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.0743 0.0661
Plasmodium falciparum NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0599
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0072 0.0116
Leishmania major cytochrome-b5 reductase, putative 0.004 0.0371 0.0026
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.006 0.0743 0.0661
Leishmania major NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Echinococcus granulosus cytochrome b5 reductase 4 0.004 0.0371 0.0371
Leishmania major oxidoreductase-like protein 0.004 0.0371 0.0026
Loa Loa (eye worm) hypothetical protein 0.035 0.6198 1
Trypanosoma cruzi nitrate reductase, putative 0.004 0.0371 0.0026
Mycobacterium tuberculosis Possible oxygenase 0.004 0.0371 1
Toxoplasma gondii pyruvate kinase PyK1 0.0039 0.0356 0.1235
Plasmodium vivax oxidoreductase NAD-binding domain containing protein 0.004 0.0371 0.0599
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.0356 0.4462
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0134 0.2139 0.3051
Giardia lamblia Kinase, CMGC MAPK 0.006 0.0743 0.1363
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0072 0.0072
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.035 0.6198 1
Onchocerca volvulus 0.0032 0.0226 0.2422
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0226 0.0252
Loa Loa (eye worm) pyruvate kinase 0.0039 0.0356 0.0465
Loa Loa (eye worm) hypothetical protein 0.0039 0.0356 0.0465
Loa Loa (eye worm) hypothetical protein 0.0058 0.071 0.1042
Leishmania major p450 reductase, putative 0.035 0.6198 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.0743 0.0661
Brugia malayi MAP kinase sur-1 0.006 0.0743 0.1095
Entamoeba histolytica type A flavoprotein, putative 0.0134 0.2139 1
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.004 0.0371 0.0026
Echinococcus granulosus methionine synthase reductase 0.0216 0.3683 0.3683
Loa Loa (eye worm) hypothetical protein 0.0031 0.0215 0.0234
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.004 0.0371 0.1287
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.035 0.6198 0.6198
Echinococcus multilocularis pyruvate kinase 0.0039 0.0356 0.0356
Echinococcus multilocularis lamin 0.0032 0.0226 0.0226
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0134 0.2139 0.3051
Giardia lamblia Pyruvate kinase 0.0039 0.0356 0.0654
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Mycobacterium tuberculosis Probable monooxygenase 0.004 0.0371 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.2301 0.2301
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.035 0.6198 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.006 0.0743 0.1095
Leishmania major cytochrome-b5 reductase, putative 0.004 0.0371 0.0026
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.004 0.0371 0.0489
Schistosoma mansoni lamin 0.0032 0.0226 0.0365
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.004 0.0371 0.1287
Leishmania major reductase, putative 0.004 0.0371 0.0026
Echinococcus multilocularis tumor protein p63 0.0395 0.7042 0.7042
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Echinococcus granulosus neuropeptide receptor A26 0.0552 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.035 0.6198 1
Loa Loa (eye worm) diaphorase 0.004 0.0371 0.0489
Trypanosoma brucei NADH-dependent fumarate reductase 0.004 0.0371 0.0026
Brugia malayi diaphorase 0.004 0.0371 0.0489
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.2301 0.2301
Onchocerca volvulus 0.004 0.0371 0.4698
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.035 0.6198 0.6198
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.004 0.0371 0.0026
Chlamydia trachomatis sulfite reductase 0.0216 0.3683 1
Echinococcus granulosus pyruvate kinase 0.0039 0.0356 0.0356
Trypanosoma cruzi oxidoreductase-protein, putative 0.004 0.0371 0.0026
Echinococcus granulosus RUN 0.0024 0.0072 0.0072
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.0356 0.4462
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.004 0.0371 0.0026
Schistosoma mansoni pyruvate kinase 0.0039 0.0356 0.0575
Trypanosoma cruzi p450 reductase, putative 0.035 0.6198 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.035 0.6198 0.6198
Echinococcus multilocularis neuropeptide receptor A26 0.0552 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0135 0.0103
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0072 0.0072
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0743 0.1198
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Echinococcus multilocularis neuropeptide s receptor 0.0552 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.006 0.0743 0.0661
Schistosoma mansoni intermediate filament proteins 0.0032 0.0226 0.0365
Leishmania major cytochrome P450 reductase, putative 0.031 0.5451 0.8721
Schistosoma mansoni lipoxygenase 0.01 0.1496 0.2413
Mycobacterium ulcerans flavodoxin oxidoreductase 0.004 0.0371 0.0026
Echinococcus granulosus mitogen activated protein kinase 3 0.006 0.0743 0.0743
Plasmodium vivax hypothetical protein, conserved 0.0134 0.2139 0.3451
Giardia lamblia Hypothetical protein 0.031 0.5451 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.035 0.6198 1
Schistosoma mansoni cellular tumor antigen P53 0.0058 0.071 0.1145
Plasmodium vivax pyruvate kinase, putative 0.0039 0.0356 0.0575
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0072 0.0072
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.004 0.0371 0.0026
Leishmania major nitrate reductase, putative 0.004 0.0371 0.0026
Schistosoma mansoni lamin 0.0032 0.0226 0.0365
Mycobacterium leprae Probable pyruvate kinase PykA 0.0039 0.0356 0.5
Brugia malayi flavodoxin family protein 0.0134 0.2139 0.3374
Toxoplasma gondii flavodoxin domain-containing protein 0.0174 0.2886 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.004 0.0371 0.0026
Trypanosoma cruzi reductase, putative 0.004 0.0371 0.0026
Schistosoma mansoni rab6-interacting 0.0024 0.0072 0.0116
Treponema pallidum flavodoxin 0.0134 0.2139 1
Echinococcus granulosus lamin 0.0032 0.0226 0.0226
Trichomonas vaginalis sulfite reductase, putative 0.035 0.6198 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0072 0.0072
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.004 0.0371 1
Echinococcus granulosus lamin dm0 0.0032 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0032 0.0226 0.0252
Trypanosoma cruzi oxidoreductase-like protein, putative 0.004 0.0371 0.0026
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.0356 0.4462
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.004 0.0371 0.0026
Trypanosoma brucei nitrate reductase, putative 0.004 0.0371 0.0026
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0743 0.0661
Loa Loa (eye worm) cytochrome b5 reductase 4 0.004 0.0371 0.0489
Schistosoma mansoni lipoxygenase 0.0142 0.2301 0.3713
Echinococcus granulosus cytochrome b5 reductase 4 0.004 0.0371 0.0371
Leishmania major hypothetical protein, conserved 0.0134 0.2139 0.3051
Schistosoma mansoni rab6-interacting 0.0024 0.0072 0.0116
Brugia malayi Cytochrome P450 family protein 0.0031 0.0198 0.0207
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.004 0.0371 0.0026
Echinococcus granulosus mitogen activated protein kinase 0.006 0.0743 0.0743
Mycobacterium ulcerans flavodoxin reductase Hmp 0.004 0.0371 0.0026
Onchocerca volvulus 0.0058 0.071 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0226 0.0252
Schistosoma mansoni NADPH flavin oxidoreductase 0.0176 0.2936 0.4737
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0134 0.2139 0.3051
Brugia malayi FAD binding domain containing protein 0.0216 0.3683 0.5895
Echinococcus multilocularis lamin dm0 0.0032 0.0226 0.0226
Trypanosoma brucei protein kinase, putative 0.006 0.0743 0.0661
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.004 0.0371 0.0026
Schistosoma mansoni cytochrome P450 reductase 0.035 0.6198 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0072 0.0116
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0198 0.0207
Loa Loa (eye worm) pyruvate kinase 0.0039 0.0356 0.0465
Giardia lamblia Nitric oxide synthase, inducible 0.031 0.5451 1
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.004 0.0371 0.0026
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.004 0.0371 0.0026
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0072 0.0072
Plasmodium vivax flavodoxin domain containing protein 0.031 0.5451 0.8794
Mycobacterium ulcerans electron transfer protein FdxB 0.004 0.0371 0.0026
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.006 0.0743 0.0661

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.55 uM Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes ChEMBL. No reference
IC50 (functional) = 0.55 uM Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes ChEMBL. No reference
Inhibition (binding) = 33 % Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells at 20 uM ChEMBL. No reference
Inhibition (binding) = 33 % Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells at 20 uM ChEMBL. No reference

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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