TDR Targets

Basic information

Technical information

TDR Targets ID: 278856
Name: 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy] methyl]phenyl]-2-methylimidazole
MW: 410.481 | Formula: C24H27FN2O3
H donors: 0 H acceptors: 1 LogP: 3.85 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC1(CCOCC1)c1cc(OCc2ccc(cc2)n2ccnc2C)cc(c1)F
InChi: 1S/C24H27FN2O3/c1-3-30-24(8-12-28-13-9-24)20-14-21(25)16-23(15-20)29-17-19-4-6-22(7-5-19)27-11-10-26-18(27)2/h4-7,10-11,14-16H,3,8-9,12-13,17H2,1-2H3
InChiKey: CPNIJZUBXNYRFY-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

1-[4-[[3-(4-ethoxytetrahydropyran-4-yl)-5-fluoro-phenoxy]methyl]phenyl]-2-methyl-imidazole
1-[4-[[3-(4-ethoxy-4-tetrahydropyranyl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole
1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluoro-phenoxy]methyl]phenyl]-2-methyl-imidazole

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	arachidonate 5-lipoxygenase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	arachidonate 5 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
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	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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.8632	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0121	0.0074	0.0041
Echinococcus granulosus	cytochrome P450 2K1	0.0086	0.0032	0.0032
Leishmania major	cytochrome p450-like protein	0.0121	0.0074	0.0041
Echinococcus granulosus	protein tyrosine kinase	0.1025	0.1128	0.1128
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Brugia malayi	Stress-activated protein kinase jnk-1	0.0748	0.0805	0.0775
Onchocerca volvulus		0.0473	0.0484	1
Trichomonas vaginalis	hypothetical protein	0.0058	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0086	0.0032	1
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0086	0.0032	1
Brugia malayi	Cytochrome P450 family protein	0.0121	0.0074	0.0041
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0086	0.0032	1
Echinococcus multilocularis	protein tyrosine kinase	0.1025	0.1128	0.1128
Brugia malayi	Cytochrome P450 family protein	0.0121	0.0074	0.0041
Echinococcus multilocularis	mitogen activated protein kinase 11	0.8632	1	1
Loa Loa (eye worm)	CYP4Cod1	0.0121	0.0074	0.0074
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0086	0.0032	1
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0748	0.0805	0.0805
Loa Loa (eye worm)	hypothetical protein	0.3211	0.3678	0.3678
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0086	0.0032	1
Trichomonas vaginalis	beta-hexosaminidase B, putative	0.0058	0	0.5
Trypanosoma brucei	cytochrome P450, putative	0.0121	0.0074	0.0041
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0086	0.0032	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0086	0.0032	0.0088
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0086	0.0032	1
Echinococcus multilocularis	mitogen activated protein kinase 14	0.8632	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.3211	0.3678	0.3678
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Schistosoma mansoni	hypothetical protein	0.0086	0.0032	0.0287
Brugia malayi	Cytochrome P450 family protein	0.0316	0.0301	0.027
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0086	0.0032	1
Loa Loa (eye worm)	hypothetical protein	0.0415	0.0416	0.0416
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0058	0	0.5
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0058	0	0.5
Echinococcus granulosus	c-Jun N-terminal kinases	0.0748	0.0805	0.0805
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.3211	0.3678	0.3678
Plasmodium falciparum	LCCL domain-containing protein	0.0058	0	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0121	0.0074	0.0041
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0086	0.0032	1
Echinococcus multilocularis		0.0086	0.0032	0.0032
Mycobacterium leprae	putative cytochrome p450	0.0086	0.0032	1
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0461	0.047	0.047
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Loa Loa (eye worm)	TK/DDR protein kinase	0.0415	0.0416	0.0416
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0086	0.0032	1
Schistosoma mansoni	cytochrome P450	0.0086	0.0032	0.0287
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0121	0.0074	1
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0086	0.0032	1
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0748	0.0805	0.0805
Schistosoma mansoni	lipoxygenase	0.0142	0.0099	0.0875
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.8632	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0121	0.0074	0.0074
Plasmodium vivax	LCCL domain-containing protein	0.0058	0	0.5
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0142	0.0099	0.0099
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.8632	1	1
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0086	0.0032	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0142	0.0099	0.0099
Toxoplasma gondii	hypothetical protein	0.3211	0.3678	1
Echinococcus multilocularis	mitogen activated protein kinase 14	0.8632	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0086	0.0032	1
Echinococcus granulosus	discoidin domain receptor	0.0461	0.047	0.047
Loa Loa (eye worm)	hypothetical protein	0.3211	0.3678	0.3678
Mycobacterium leprae	Conserved hypothetical protein	0.0086	0.0032	1
Echinococcus granulosus	mitogen activated protein kinase 14	0.8632	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.8632	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0086	0.0032	1
Echinococcus granulosus	mitogen activated protein kinase 11	0.8632	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0086	0.0032	1
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0316	0.0301	0.0301
Schistosoma mansoni	lipoxygenase	0.01	0.0049	0.0432
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0086	0.0032	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0086	0.0032	1
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.8632	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0748	0.0805	0.7131
Plasmodium falciparum	LCCL domain-containing protein	0.0058	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.1037	0.1142	0.1114
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0086	0.0032	1
Loa Loa (eye worm)	cytochrome P450	0.0086	0.0032	0.0032
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase 11	0.8632	1	1
Brugia malayi	Protein kinase domain containing protein	0.0473	0.0484	0.0453
Plasmodium vivax	LCCL domain-containing protein	0.0058	0	0.5
Loa Loa (eye worm)	TK/FAK protein kinase	0.1037	0.1142	0.1142
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0121	0.0074	0.0074
Schistosoma mansoni	tyrosine kinase	0.1025	0.1128	1
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0086	0.0032	1
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0086	0.0032	1
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 5 mg kg-1	In vivo potency was determined after oral administration to mice by the PAF (platelet activatingfactor) induced thrombosis assay	ChEMBL.	14736252
ED50 (functional)	= 5 mg kg-1	In vivo potency was determined after oral administration to mice by the PAF (platelet activatingfactor) induced thrombosis assay	ChEMBL.	14736252
IC50 (binding)	= 0.08 uM	Inhibition of 5-Lipoxygenase (5-LO) of human whole blood (HWB)	ChEMBL.	14736252
IC50 (binding)	= 0.08 uM	Inhibition of 5-Lipoxygenase (5-LO) of human whole blood (HWB)	ChEMBL.	14736252

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

ChEMBL: CHEMBL423452
PubChem: 11350397

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 278856