TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 301.355 | Formula: C18H20FNO2
H donors: 1 H acceptors: 0 LogP: 4 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)Oc1ccc(cc1)OC[C@@H]1CCCCN1
InChi: 1S/C18H20FNO2/c19-14-4-6-17(7-5-14)22-18-10-8-16(9-11-18)21-13-15-3-1-2-12-20-15/h4-11,15,20H,1-3,12-13H2/t15-/m0/s1
InChiKey: SHFDEFVZLYQBBC-HNNXBMFYSA-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
Echinococcus granulosus	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
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	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
Loa Loa (eye worm)	leukotriene A4 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
Candida albicans	leukotriene A4 hydrolase/leucyl aminopeptidase	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
Echinococcus multilocularis	geminin	0.0166	0.4083	0.4039
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.1403	0.1403
Brugia malayi	hypothetical protein	0.0015	0.0272	0.0279
Schistosoma mansoni	cpg binding protein	0.003	0.0648	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0272	0.0226
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0015	0.0272	0.5
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0279	0.6928	1
Echinococcus granulosus	survival motor neuron protein 1	0.0232	0.5738	0.5706
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0015	0.0272	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0015	0.0272	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0015	0.0272	0.5
Brugia malayi	Peptidase family M1 containing protein	0.0015	0.0272	0.0279
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0015	0.0272	0.5
Onchocerca volvulus		0.0028	0.0608	0.4107
Echinococcus granulosus	cpg binding protein	0.003	0.0648	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0272	0.0226
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Schistosoma mansoni	hypothetical protein	0.0166	0.4083	0.4083
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0279	0.6928	0.6905
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1089	0.1733
Schistosoma mansoni	cpg binding protein	0.0028	0.0608	0.0608
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0015	0.0272	1
Trypanosoma cruzi	aminopeptidase, putative	0.0015	0.0272	0.5
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0015	0.0272	1
Brugia malayi	Peptidase family M1 containing protein	0.0015	0.0272	0.0279
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0015	0.0272	0.5
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0015	0.0272	0.5
Brugia malayi	hypothetical protein	0.0128	0.313	0.5362
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0015	0.0272	0.5
Mycobacterium ulcerans	aminopeptidase N PepN	0.0015	0.0272	0.5
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0015	0.0272	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.1242	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0232	0.5738	0.5706
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0015	0.0272	0.0272
Onchocerca volvulus		0.0047	0.1089	1
Schistosoma mansoni	hypothetical protein	0.0166	0.4083	0.4083
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0608	0.0719
Schistosoma mansoni	cpg binding protein	0.003	0.0648	0.0648
Echinococcus multilocularis	cpg binding protein	0.003	0.0648	0.0578
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0015	0.0272	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0118	0.0044
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0279	0.6928	0.6928
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0015	0.0272	0.5
Trypanosoma cruzi	aminopeptidase, putative	0.0015	0.0272	0.5
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0015	0.0272	0.5
Echinococcus multilocularis	dnaJ subfamily B	0.0401	1	1
Echinococcus granulosus	geminin	0.0166	0.4083	0.4039
Echinococcus granulosus	aminopeptidase N	0.0015	0.0272	0.0199
Mycobacterium ulcerans	aminopeptidase N PepN	0.0015	0.0272	0.5
Echinococcus multilocularis	aminopeptidase N	0.0015	0.0272	0.0199
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0015	0.0272	0.0272
Schistosoma mansoni	hypothetical protein	0.0047	0.1089	0.1089
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0015	0.0272	0.5
Schistosoma mansoni	hypothetical protein	0.0401	1	1
Brugia malayi	hypothetical protein	0.0015	0.0272	0.0279
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1089	0.1089
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0015	0.0272	0.0272
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0015	0.0272	1
Entamoeba histolytica	aminopeptidase, putative	0.0015	0.0272	0.5
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0015	0.0272	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0118	0.0044
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0015	0.0272	0.0199
Brugia malayi	hypothetical protein	0.0232	0.5738	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Trypanosoma brucei	Aminopeptidase M1, putative	0.0015	0.0272	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0272	0.0199
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0015	0.0272	0.5
Trypanosoma brucei	aminopeptidase, putative	0.0015	0.0272	0.5
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0608	0.0876
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0272	0.0226
Brugia malayi	Peptidase family M1 containing protein	0.0015	0.0272	0.0279
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0015	0.0272	0.0272
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0074	0.0074
Trypanosoma brucei	Aminopeptidase M1, putative	0.0015	0.0272	0.5
Brugia malayi	TATA binding protein associated factor	0.0015	0.0272	0.0279
Loa Loa (eye worm)	aminopeptidase N	0.0015	0.0272	0.0226
Loa Loa (eye worm)	TATA binding protein associated factor	0.0015	0.0272	0.0226
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0279	0.6928	0.6905
Loa Loa (eye worm)	hypothetical protein	0.0232	0.5738	0.8254
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0015	0.0272	0.0226

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.09 uM	Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA	ChEMBL.	20371179
IC50 (binding)	= 0.174 uM	Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS	ChEMBL.	20371179

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: CHEMBL1098167

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 1126082