TDR Targets

Basic information

Technical information

TDR Targets ID: 280393
Name: 1-[2-[4-(4-phenylphenoxy)phenoxy]ethyl]pyrrol idine
MW: 359.461 | Formula: C24H25NO2
H donors: 0 H acceptors: 0 LogP: 5.57 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: C1CCN(C1)CCOc1ccc(cc1)Oc1ccc(cc1)c1ccccc1
InChi: 1S/C24H25NO2/c1-2-6-20(7-3-1)21-8-10-23(11-9-21)27-24-14-12-22(13-15-24)26-19-18-25-16-4-5-17-25/h1-3,6-15H,4-5,16-19H2
InChiKey: JOAPAHXFXLAMGI-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	leukotriene A4 hydrolase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	Get druggable targets OG5_129538	All targets in OG5_129538
Echinococcus granulosus	leukotriene A 4 hydrolase	Get druggable targets OG5_129538	All targets in OG5_129538
Candida albicans	leukotriene A4 hydrolase/leucyl aminopeptidase	Get druggable targets OG5_129538	All targets in OG5_129538
Echinococcus multilocularis	leukotriene A 4 hydrolase	Get druggable targets OG5_129538	All targets in OG5_129538
Schistosoma japonicum	ko:K01254 leukotriene-A4 hydrolase [EC3.3.2.6], putative	Get druggable targets OG5_129538	All targets in OG5_129538
Candida albicans	leukotriene A4 hydrolase/leucyl aminopeptidase	Get druggable targets OG5_129538	All targets in OG5_129538
Loa Loa (eye worm)	leukotriene A4 hydrolase	Get druggable targets OG5_129538	All targets in OG5_129538

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	leukotriene A4 hydrolase	611 aa	508 aa	22.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	tubulin alpha-1 chain	0.019	0.4674	0.4126
Schistosoma mansoni	tubulin subunit beta	0.0262	0.9016	0.8825
Schistosoma mansoni	tubulin subunit beta	0.0262	0.9016	0.8825
Trypanosoma cruzi	beta tubulin, putative	0.0262	0.9016	1
Echinococcus multilocularis	tubulin alpha chain	0.019	0.4674	0.3641
Trichomonas vaginalis	tubulin beta chain, putative	0.019	0.4674	0.5184
Schistosoma mansoni	tubulin subunit beta	0.0262	0.9016	0.8825
Brugia malayi	Tubulin alpha chain	0.019	0.4674	0.4575
Schistosoma mansoni	alpha tubulin	0.019	0.4674	0.3641
Echinococcus granulosus	Tubulin beta 2C chain	0.0262	0.9016	0.8825
Echinococcus granulosus	tubulin alpha chain	0.019	0.4674	0.3641
Toxoplasma gondii	alpha tubulin TUBA1	0.019	0.4674	0.4126
Echinococcus granulosus	Tubulin alpha 1 chain	0.019	0.4674	0.3641
Toxoplasma gondii	beta-tubulin, putative	0.0262	0.9016	1
Echinococcus granulosus	tubulin beta 1 chain	0.0262	0.9016	0.8825
Echinococcus granulosus	Tubulin alpha 1 chain	0.019	0.4674	0.3641
Trichomonas vaginalis	tubulin gamma chain, putative	0.0262	0.9016	1
Trypanosoma brucei	alpha tubulin	0.019	0.4674	0.4126
Trypanosoma brucei	alpha tubulin	0.019	0.4674	0.4126
Trichomonas vaginalis	tubulin beta chain, putative	0.019	0.4674	0.5184
Echinococcus multilocularis	Tubulin beta 2C chain	0.0262	0.9016	0.8825
Echinococcus multilocularis	peroxisome assembly protein 26	0.019	0.4674	0.3641
Leishmania major	beta tubulin	0.0262	0.9016	1
Entamoeba histolytica	tubulin alpha chain, putative	0.019	0.4674	0.4126
Echinococcus granulosus	tubulin alpha 1C chain	0.019	0.4674	0.3641
Brugia malayi	alpha-tubulin	0.019	0.4674	0.4575
Loa Loa (eye worm)	tubulin beta-2A chain	0.0262	0.9016	0.9016
Trichomonas vaginalis	tubulin gamma chain, putative	0.0138	0.1624	0.1801
Leishmania major	beta tubulin	0.0262	0.9016	1
Schistosoma mansoni	tubulin subunit alpha	0.019	0.4674	0.3641
Leishmania major	beta tubulin	0.0262	0.9016	1
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0279	1	1
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Trypanosoma brucei	beta tubulin	0.0262	0.9016	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.019	0.4674	0.5184
Trichomonas vaginalis	tubulin beta chain, putative	0.019	0.4674	0.5184
Echinococcus multilocularis	Tubulin beta 2C chain	0.0262	0.9016	0.8825
Loa Loa (eye worm)	tubulin beta-1 chain	0.0262	0.9016	0.9016
Echinococcus granulosus	tubulin alpha chain	0.019	0.4674	0.3641
Loa Loa (eye worm)	tubulin beta-4 chain	0.0262	0.9016	0.9016
Loa Loa (eye worm)	hypothetical protein	0.019	0.4674	0.4674
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0129	0.1087	0.1087
Trichomonas vaginalis	tubulin beta chain, putative	0.019	0.4674	0.5184
Leishmania major	beta tubulin	0.0262	0.9016	1
Leishmania major	beta tubulin	0.0262	0.9016	1
Trypanosoma brucei	beta tubulin	0.0262	0.9016	1
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Toxoplasma gondii	alpha-tubulin I, putative	0.019	0.4674	0.4126
Trichomonas vaginalis	tubulin epsilon chain, putative	0.019	0.4674	0.5184
Echinococcus granulosus	tubulin alpha chain	0.019	0.4674	0.3641
Echinococcus multilocularis	Tubulin alpha 1 chain	0.019	0.4674	0.3641
Entamoeba histolytica	tubulin family protein	0.0262	0.9016	1
Echinococcus multilocularis	tubulin subunit beta	0.0262	0.9016	0.8825
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Plasmodium vivax	tubulin alpha chain, putative	0.019	0.4674	0.4126
Leishmania major	beta tubulin	0.0262	0.9016	1
Schistosoma mansoni	alpha tubulin	0.019	0.4674	0.3641
Loa Loa (eye worm)	BEN-1 protein	0.0262	0.9016	0.9016
Echinococcus multilocularis	tubulin alpha 3 chain	0.019	0.4674	0.3641
Leishmania major	beta tubulin	0.0262	0.9016	1
Loa Loa (eye worm)	tubulin beta chain	0.0262	0.9016	0.9016
Giardia lamblia	Alpha-tubulin	0.019	0.4674	0.4126
Echinococcus granulosus	tubulin alpha chain	0.019	0.4674	0.3641
Loa Loa (eye worm)	alpha-tubulin	0.019	0.4674	0.4674
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Giardia lamblia	Beta tubulin	0.0262	0.9016	1
Loa Loa (eye worm)	tubulin gamma chain	0.0138	0.1624	0.1624
Schistosoma mansoni	tubulin subunit alpha	0.019	0.4674	0.3641
Trichomonas vaginalis	tubulin, putative	0.0262	0.9016	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.019	0.4674	0.3641
Echinococcus granulosus	tubulin beta 4A class IVa	0.0262	0.9016	0.8825
Echinococcus multilocularis	hypothetical protein	0.019	0.4674	0.3641
Schistosoma mansoni	tubulin subunit beta	0.0262	0.9016	0.8825
Trichomonas vaginalis	tubulin beta chain, putative	0.019	0.4674	0.5184
Plasmodium falciparum	alpha tubulin 2	0.019	0.4674	0.4126
Echinococcus granulosus	beta tubulin	0.0262	0.9016	0.8825
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0262	0.9016	1
Echinococcus granulosus	tubulin alpha 1C chain	0.019	0.4674	0.3641
Echinococcus granulosus	peroxisome assembly protein 26	0.019	0.4674	0.3641
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0262	0.9016	0.8825
Echinococcus multilocularis	tubulin alpha chain	0.019	0.4674	0.3641
Echinococcus granulosus	tubulin subunit beta	0.0262	0.9016	0.8825
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0129	0.1087	0.1206
Loa Loa (eye worm)	beta-tubulin	0.0262	0.9016	0.9016
Trichomonas vaginalis	tubulin alpha chain, putative	0.0138	0.1624	0.1801
Plasmodium vivax	tubulin alpha chain, putative	0.019	0.4674	0.4126
Echinococcus granulosus	alpha tubulin	0.019	0.4674	0.3641
Echinococcus multilocularis	tubulin beta 1 chain	0.0262	0.9016	0.8825
Schistosoma mansoni	tubulin subunit beta	0.0262	0.9016	0.8825
Echinococcus multilocularis	tubulin subunit TubB	0.019	0.4674	0.3641
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Schistosoma mansoni	tubulin subunit beta	0.0262	0.9016	0.8825
Loa Loa (eye worm)	tubulin alpha-2 chain	0.019	0.4674	0.4674
Brugia malayi	tubulin alpha chain - mouse	0.019	0.4674	0.4575
Echinococcus multilocularis	tubulin alpha chain	0.019	0.4674	0.3641
Toxoplasma gondii	beta tubulin	0.0262	0.9016	1
Schistosoma mansoni	tubulin subunit alpha	0.019	0.4674	0.3641
Brugia malayi	Tubulin alpha-2 chain	0.019	0.4674	0.4575
Plasmodium vivax	tubulin beta chain, putative	0.0262	0.9016	1
Leishmania major	beta tubulin	0.0262	0.9016	1
Giardia lamblia	Beta tubulin	0.0262	0.9016	1
Loa Loa (eye worm)	tubulin alpha 2	0.0129	0.1087	0.1087
Brugia malayi	tubulin alpha-2 chain	0.019	0.4674	0.4575
Trypanosoma cruzi	alpha tubulin, putative	0.019	0.4674	0.4126
Leishmania major	beta tubulin	0.0262	0.9016	1
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Echinococcus multilocularis	tubulin alpha chain	0.019	0.4674	0.3641
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0279	1	1
Plasmodium falciparum	tubulin beta chain	0.0262	0.9016	1
Plasmodium falciparum	alpha tubulin 1	0.019	0.4674	0.4126
Trypanosoma brucei	alpha tubulin	0.019	0.4674	0.4126
Trichomonas vaginalis	tubulin alpha chain, putative	0.0262	0.9016	1
Brugia malayi	Tubulin alpha-2 chain	0.019	0.4674	0.4575
Schistosoma mansoni	alpha tubulin	0.019	0.4674	0.3641
Trichomonas vaginalis	tubulin gamma chain, putative	0.0138	0.1624	0.1801
Trypanosoma brucei	beta tubulin	0.0262	0.9016	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.019	0.4674	0.3641
Echinococcus multilocularis	Tubulin beta 2C chain	0.0262	0.9016	0.8825
Leishmania major	beta tubulin	0.0262	0.9016	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0262	0.9016	0.8825
Leishmania major	beta tubulin	0.0262	0.9016	1
Toxoplasma gondii	beta-1 tubulin, putative	0.0262	0.9016	1
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Loa Loa (eye worm)	hypothetical protein	0.0129	0.1087	0.1087
Echinococcus granulosus	tubulin alpha 3 chain	0.019	0.4674	0.3641
Echinococcus granulosus	Tubulin alpha 1 chain	0.019	0.4674	0.3641
Echinococcus multilocularis	tubulin alpha chain	0.019	0.4674	0.3641
Echinococcus granulosus	tubulin alpha 3 chain	0.019	0.4674	0.3641
Leishmania major	beta tubulin	0.0262	0.9016	1
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0279	1	1
Echinococcus granulosus	tubulin subunit TubB	0.019	0.4674	0.3641
Leishmania major	beta tubulin	0.0262	0.9016	1
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Leishmania major	beta tubulin	0.0262	0.9016	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0262	0.9016	0.8825
Trypanosoma brucei	alpha tubulin	0.019	0.4674	0.4126
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Brugia malayi	Tubulin gamma chain	0.0138	0.1624	0.0765
Echinococcus granulosus	Tubulin beta 2C chain	0.0262	0.9016	0.8825
Loa Loa (eye worm)	alpha-tubulin	0.019	0.4674	0.4674
Loa Loa (eye worm)	tubulin alpha chain	0.019	0.4674	0.4674
Trypanosoma brucei	beta tubulin	0.0262	0.9016	1
Brugia malayi	Tubulin beta-1 chain	0.0262	0.9016	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0262	0.9016	0.8825
Echinococcus multilocularis	beta tubulin	0.0262	0.9016	0.8825
Trichomonas vaginalis	tubulin beta chain, putative	0.0262	0.9016	1
Brugia malayi	beta-tubulin, identical	0.0262	0.9016	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0262	0.9016	1
Echinococcus multilocularis	beta tubulin	0.0262	0.9016	0.8825
Echinococcus granulosus	beta tubulin	0.0262	0.9016	0.8825
Echinococcus multilocularis	tubulin alpha 1C chain	0.019	0.4674	0.3641
Echinococcus granulosus	tubulin alpha chain	0.019	0.4674	0.3641
Echinococcus multilocularis	Tubulin beta 2C chain	0.0262	0.9016	0.8825
Trichomonas vaginalis	tubulin epsilon chain, putative	0.019	0.4674	0.5184
Leishmania major	beta tubulin	0.0262	0.9016	1
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Loa Loa (eye worm)	tubulin alpha 2	0.0129	0.1087	0.1087
Loa Loa (eye worm)	BEN-1 protein	0.0262	0.9016	0.9016
Leishmania major	beta tubulin	0.0262	0.9016	1
Leishmania major	alpha tubulin	0.019	0.4674	0.4126
Echinococcus granulosus	Tubulin beta 2C chain	0.0262	0.9016	0.8825
Leishmania major	beta tubulin	0.0262	0.9016	1
Entamoeba histolytica	tubulin family protein	0.0262	0.9016	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.019	0.4674	0.3641
Loa Loa (eye worm)	tubulin alpha chain	0.019	0.4674	0.4674
Trichomonas vaginalis	tubulin beta chain, putative	0.019	0.4674	0.5184
Leishmania major	beta tubulin	0.0262	0.9016	1
Giardia lamblia	Beta tubulin	0.0262	0.9016	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.019	0.4674	0.3641
Giardia lamblia	Alpha-tubulin	0.019	0.4674	0.4126

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.0066 uM	Inhibitory activity was determined against Leukotriene A4 hydrolase	ChEMBL.	10691697
IC50 (binding)	= 0.0066 uM	Inhibitory activity was determined against Leukotriene A4 hydrolase	ChEMBL.	10691697
IC50 (functional)	= 0.14 uM	Inhibitory activity was determined for LTB4 production in human whole blood.	ChEMBL.	10691697
IC50 (functional)	= 0.14 uM	Inhibitory activity was determined for LTB4 production in human whole blood.	ChEMBL.	10691697

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: CHEMBL162432
PubChem: 10689827

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 280393