TDR Targets

Basic information

Technical information

TDR Targets ID: 188542
Name: methyl 3-[2-(4-benzylphenoxy)ethyl]-3-azabicy clo[2.2.1]heptane-6-carboxylate
MW: 365.465 | Formula: C23H27NO3
H donors: 0 H acceptors: 1 LogP: 4.3 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1CC2CC1CN2CCOc1ccc(cc1)Cc1ccccc1
InChi: 1S/C23H27NO3/c1-26-23(25)22-15-20-14-19(22)16-24(20)11-12-27-21-9-7-18(8-10-21)13-17-5-3-2-4-6-17/h2-10,19-20,22H,11-16H2,1H3
InChiKey: IFWDQXSUHPPOCV-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

3-[2-(4-benzylphenoxy)ethyl]-3-azabicyclo[2.2.1]heptane-6-carboxylic acid methyl ester
methyl 3-[2-[4-(phenylmethyl)phenoxy]ethyl]-3-azabicyclo[2.2.1]heptane-6-carboxylate
3-[2-[4-(phenylmethyl)phenoxy]ethyl]-3-azabicyclo[2.2.1]heptane-6-carboxylic acid methyl ester
3-[2-[4-(benzyl)phenoxy]ethyl]-3-azabicyclo[2.2.1]heptane-6-carboxylic acid methyl ester

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
Loa Loa (eye worm)	leukotriene A4 hydrolase	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
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
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	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

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	0.0216	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Toxoplasma gondii	protein kinase domain-containing protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Trypanosoma brucei	protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein	0.0216	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	leucine-rich repeat domain-containing protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0216	0	0.5
Giardia lamblia	Kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	1.3307	0.9838	1
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	serine/threonine kinase, putative	0.0216	0	0.5
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0279	0.0047	0.0048
Trichomonas vaginalis	CAMK family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	tyrosine- protein kinase 2, putative	0.0216	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Trypanosoma cruzi	protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Entamoeba histolytica	tyrosin kinase, putative	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Onchocerca volvulus	Tyrosine kinase homolog	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	STE family protein kinase	0.0216	0	0.5
Entamoeba histolytica	serine/threonine kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosin kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	protein kinase atn1, putative	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	serine/threonine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Entamoeba histolytica	serine/threonine kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosin kinase, putative	0.0216	0	0.5
Onchocerca volvulus	Tyrosine kinase receptor Cad96Ca homolog	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Giardia lamblia	Protein 21.1	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	serine/threonine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Entamoeba histolytica	ankyrin repeat protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0	0.5
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Giardia lamblia	Kinase, NEK	0.0216	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0	0.5
Brugia malayi	Protein kinase domain containing protein	1.3307	0.9838	1
Entamoeba histolytica	cysteine surface protein, putative	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Toxoplasma gondii	protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Plasmodium falciparum	tyrosine kinase-like protein	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.0216	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Entamoeba histolytica	ankyrin repeat protein	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase with ankyrin repeats, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Loa Loa (eye worm)	hypothetical protein	1.3307	0.9838	1
Trypanosoma brucei	Flagellum attachment zone protein 20	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0279	0.0047	0.0047
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0	0.5
Loa Loa (eye worm)	hypothetical protein	1.3307	0.9838	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Plasmodium falciparum	tyrosine kinase-like protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Giardia lamblia	Kinase, NEK	0.0216	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0	0.5
Loa Loa (eye worm)	TKL/MLK/LZK protein kinase	1.3307	0.9838	1
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trypanosoma cruzi	protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	protein tyrosine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	receptor protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosin kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trypanosoma brucei	Pseudokinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Plasmodium vivax	protein kinase, putative	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Leishmania major	protein kinase, putative	0.0216	0	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	serine/threonine kinase, putative	0.0216	0	0.5
Leishmania major	hypothetical protein, conserved	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein	0.0216	0	0.5
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0279	0.0047	0.0048
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Trichomonas vaginalis	TK family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Toxoplasma gondii	STE kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Leishmania major	protein kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	1.3307	0.9838	1
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0216	0	0.5
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0279	0.0047	0.0048
Entamoeba histolytica	tyrosine kinase, putative	0.0216	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0216	0	0.5
Onchocerca volvulus		0.0216	0	0.5
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0216	0	0.5
Entamoeba histolytica	hypothetical protein	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Entamoeba histolytica	receptor protein kinase, putative	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0216	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.047 uM	Inhibition of leukotriene A4 hydrolase in human recombinant assay	ChEMBL.	12419366
IC50 (binding)	= 0.047 uM	Inhibition of leukotriene A4 hydrolase in human recombinant assay	ChEMBL.	12419366
IC50 (functional)	= 0.2 uM	Inhibition of leukotriene B4 production in human whole blood	ChEMBL.	12419366
IC50 (functional)	= 0.2 uM	Inhibition of leukotriene B4 production in human whole blood	ChEMBL.	12419366
Inhibition (functional)	= 50 %	Ex vivo inhibition of LTB4 production in mouse whole blood at 10 mg/kg	ChEMBL.	12419366
Inhibition (functional)	= 50 %	Ex vivo inhibition of LTB4 production in mouse whole blood at 10 mg/kg	ChEMBL.	12419366

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12419366

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: CHEMBL114591
PubChem: 23553369

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 188542