TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 352.427 | Formula: C21H24N2O3
H donors: 0 H acceptors: 1 LogP: 4.84 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: C1CCN(CC1)CCCOc1ccc(cc1)Oc1nc2c(o1)cccc2
InChi: 1S/C21H24N2O3/c1-4-13-23(14-5-1)15-6-16-24-17-9-11-18(12-10-17)25-21-22-19-7-2-3-8-20(19)26-21/h2-3,7-12H,1,4-6,13-16H2
InChiKey: AXAJOTXUFNUVRQ-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 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
Schistosoma japonicum	ko:K01254 leukotriene-A4 hydrolase [EC3.3.2.6], putative	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

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	hypothetical protein	0.0115	0.1041	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0286	0.298	0.298
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0286	0.298	0.8511
Brugia malayi	MH1 domain containing protein	0.0043	0.0217	0.0217
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0268	0.0077
Brugia malayi	Latrophilin receptor protein 2	0.0286	0.298	0.298
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0207	0.2084	0.2084
Brugia malayi	MH2 domain containing protein	0.0043	0.0217	0.0217
Brugia malayi	RNA binding protein	0.0207	0.2084	0.2084
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0268	0.0156
Brugia malayi	latrophilin 2 splice variant baaae	0.0618	0.6751	0.6751
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0277	0.0277
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0286	0.298	0.8511
Entamoeba histolytica	hypothetical protein	0.0115	0.1041	0.5
Loa Loa (eye worm)	hypothetical protein	0.0286	0.298	0.298
Schistosoma mansoni	hypothetical protein	0.0286	0.298	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0904	1	1
Echinococcus multilocularis	GPCR, family 2	0.0286	0.298	0.8511
Echinococcus granulosus	tumor protein p63	0.0329	0.3464	1
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0777	0.0777
Brugia malayi	hypothetical protein	0.0128	0.1187	0.1187
Schistosoma mansoni	hypothetical protein	0.0286	0.298	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1531	0.1531
Brugia malayi	TAR-binding protein	0.0207	0.2084	0.2084
Schistosoma mansoni	hypothetical protein	0.0618	0.6751	1
Schistosoma mansoni	hypothetical protein	0.0127	0.1178	0.1471
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0176	0.1725	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0268	0.0268
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0286	0.298	0.298
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0279	0.2897	0.8256
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0268	0.0156
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.2084	0.2857
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0777	0.0777
Schistosoma mansoni	hypothetical protein	0.0127	0.1178	0.1471
Loa Loa (eye worm)	RNA binding protein	0.0207	0.2084	0.2084
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.2084	0.2857
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0904	1	1
Brugia malayi	hypothetical protein	0.0115	0.1041	0.1041
Brugia malayi	MH2 domain containing protein	0.0629	0.687	0.687
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0115	0.1041	0.2538
Loa Loa (eye worm)	MH2 domain-containing protein	0.0043	0.0217	0.0217
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0268	0.0156
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.2084	0.2857
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0115	0.1041	0.2538
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0286	0.298	0.8511
Brugia malayi	MH2 domain containing protein	0.0043	0.0217	0.0217
Echinococcus multilocularis	geminin	0.0127	0.1178	0.296
Schistosoma mansoni	hypothetical protein	0.0286	0.298	0.4229
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0268	0.0156
Loa Loa (eye worm)	Smad1	0.0043	0.0217	0.0217
Onchocerca volvulus	Huntingtin homolog	0.0092	0.0777	0.3455
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0268	0.0077
Entamoeba histolytica	hypothetical protein	0.0115	0.1041	0.5
Echinococcus granulosus	GPCR family 2	0.0286	0.298	0.8511
Brugia malayi	N-terminal motif family protein	0.0176	0.1725	0.1725
Echinococcus granulosus	geminin	0.0127	0.1178	0.296
Brugia malayi	hypothetical protein	0.0159	0.1531	0.1531
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0279	0.2897	0.4102
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0277	0.0092
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.2084	0.2857
Loa Loa (eye worm)	MH2 domain-containing protein	0.0629	0.687	0.687
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0279	0.2897	0.8256
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0268	0.0268
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0286	0.298	0.8511
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0904	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0115	0.1041	0.1261
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.2084	0.2857
Loa Loa (eye worm)	transcription factor SMAD2	0.0629	0.687	0.687
Loa Loa (eye worm)	TAR-binding protein	0.0207	0.2084	0.2084
Echinococcus multilocularis	tar DNA binding protein	0.0207	0.2084	0.575
Onchocerca volvulus		0.0159	0.1531	0.8661
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0268	0.0077
Schistosoma mansoni	hypothetical protein	0.0115	0.1041	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0176	0.1725	0.1725
Loa Loa (eye worm)	hypothetical protein	0.0618	0.6751	0.6751
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0279	0.2897	0.2897
Brugia malayi	hypothetical protein	0.0092	0.0777	0.0777
Onchocerca volvulus	Huntingtin homolog	0.0092	0.0777	0.3455
Loa Loa (eye worm)	MH1 domain-containing protein	0.0043	0.0217	0.0217
Brugia malayi	RNA recognition motif domain containing protein	0.0207	0.2084	0.2084
Brugia malayi	Smad1	0.0043	0.0217	0.0217
Schistosoma mansoni	hypothetical protein	0.0286	0.298	0.4229
Entamoeba histolytica	hypothetical protein	0.0115	0.1041	0.5
Echinococcus granulosus	tar DNA binding protein	0.0207	0.2084	0.575
Brugia malayi	MH1 domain containing protein	0.0043	0.0217	0.0217
Echinococcus multilocularis	tumor protein p63	0.0329	0.3464	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 27 nM	Inhibition of human recombinant leukotriene A4 hydrolase by enzyme immunoassay	ChEMBL.	18588282

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: CHEMBL517998

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 1015736