TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 328.362 | Formula: C18H20N2O4
H donors: 0 H acceptors: 2 LogP: 3.78 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1cccc(c1)Oc1ccc(cc1)OCCN1CCCC1
InChi: 1S/C18H20N2O4/c21-20(22)15-4-3-5-18(14-15)24-17-8-6-16(7-9-17)23-13-12-19-10-1-2-11-19/h3-9,14H,1-2,10-13H2
InChiKey: QMBCKMBMGKATJW-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	prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase)	Starlite/ChEMBL	References
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 multilocularis	leukotriene A 4 hydrolase	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
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
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
Onchocerca volvulus		0.0081	0.0581	0.2119
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0192	0.03
Schistosoma mansoni	hypothetical protein	0.0112	0.0887	0.0847
Brugia malayi	MH1 domain containing protein	0.0036	0.0144	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0644	0.1213
Echinococcus granulosus	mothers against decapentaplegic 5	0.0036	0.0144	0.0101
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0081	0.0581	0.054
Brugia malayi	beta-lactamase family protein	0.0081	0.0581	0.1163
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Schistosoma mansoni	hypothetical protein	0.0062	0.0396	0.0354
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.0508	0.8555
Mycobacterium ulcerans	beta-lactamase	0.0081	0.0581	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Echinococcus multilocularis	neuropeptide receptor	0.0095	0.0726	0.0685
Entamoeba histolytica	hypothetical protein	0.0062	0.0396	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0081	0.0581	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0087	0.0644	0.0603
Brugia malayi	TAR-binding protein	0.0116	0.0925	0.1851
Onchocerca volvulus		0.0032	0.0105	0.0017
Schistosoma mansoni	smad1 5 8 and	0.0036	0.0144	0.0101
Echinococcus multilocularis	GPCR, family 2	0.0112	0.0887	0.0847
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0081	0.0581	0.1163
Brugia malayi	hypothetical protein	0.0128	0.1049	0.21
Echinococcus multilocularis	chromobox protein 1	0.0073	0.0508	0.0466
Echinococcus granulosus	neuropeptide receptor	0.0095	0.0726	0.0685
Mycobacterium ulcerans	esterase/lipase LipP	0.0081	0.0581	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.0101	0.0117
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0243	0.2174	0.2139
Loa Loa (eye worm)	RNA binding protein	0.0116	0.0925	0.1779
Loa Loa (eye worm)	MH2 domain-containing protein	0.053	0.4997	1
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.0101	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0353	0.3257	0.6488
Echinococcus granulosus	polycomb protein SCMH1	0.0087	0.0644	0.0603
Loa Loa (eye worm)	mbt repeat family protein	0.0087	0.0644	0.1213
Echinococcus multilocularis	G protein coupled receptor 139	0.0095	0.0726	0.0685
Mycobacterium leprae	Probable lipase LipE	0.0081	0.0581	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0112	0.0887	0.1702
Loa Loa (eye worm)	TAR-binding protein	0.0116	0.0925	0.1779
Brugia malayi	beta-lactamase	0.0081	0.0581	0.1163
Schistosoma mansoni	hypothetical protein	0.0112	0.0887	0.0847
Plasmodium falciparum	importin beta, putative	0.0026	0.0044	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0116	0.0925	0.0885
Schistosoma mansoni	smad	0.0036	0.0144	0.0101
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0036	0.0144	0.0101
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0062	0.0396	0.0354
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0515	0.4849	1
Leishmania major	hypothetical protein, conserved	0.0081	0.0581	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0243	0.2174	0.4351
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0387	0.0694
Mycobacterium leprae	conserved hypothetical protein	0.0081	0.0581	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0051	0.0294	0.0252
Echinococcus multilocularis	peroxidasin	0.0032	0.0101	0.0058
Schistosoma mansoni	tar DNA-binding protein	0.0116	0.0925	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Brugia malayi	RNA binding protein	0.0116	0.0925	0.1851
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0031	0.0093	0.005
Schistosoma mansoni	bromodomain containing protein	0.0054	0.0324	0.0282
Schistosoma mansoni	tar DNA-binding protein	0.0116	0.0925	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0581	0.1086
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0192	0.2321
Loa Loa (eye worm)	hypothetical protein	0.0262	0.2366	0.469
Echinococcus granulosus	snurportin 1	0.0276	0.2503	0.247
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0112	0.0887	0.1775
Brugia malayi	latrophilin 2 splice variant baaae	0.0241	0.216	0.4323
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0099	0.0763	0.0722
Loa Loa (eye worm)	MH1 domain-containing protein	0.0036	0.0144	0.0203
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0353	0.3257	0.6488
Loa Loa (eye worm)	MBCTL1	0.0099	0.0763	0.1452
Onchocerca volvulus		0.0087	0.0644	0.2397
Trichomonas vaginalis	D-aminoacylase, putative	0.0081	0.0581	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0276	0.2503	0.4966
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0581	0.1086
Echinococcus multilocularis	chromobox protein 1	0.0073	0.0508	0.0466
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.0101	0.0203
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0343	0.3158	0.3128
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0051	0.0294	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Echinococcus multilocularis	geminin	0.1039	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0112	0.0887	0.1775
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0105	0.0124
Brugia malayi	hypothetical protein	0.0062	0.0396	0.0793
Echinococcus multilocularis	tar DNA binding protein	0.0116	0.0925	0.0885
Schistosoma mansoni	peroxidasin	0.0032	0.0101	0.0058
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0087	0.0644	0.0603
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0192	0.0401
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0112	0.0887	0.0847
Schistosoma mansoni	hypothetical protein	0.0529	0.4986	0.4964
Schistosoma mansoni	hypothetical protein	0.0276	0.2503	0.247
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0192	0.2321
Loa Loa (eye worm)	blistered cuticle protein 3	0.0032	0.0101	0.0117
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0279	0.2529	0.5019
Schistosoma mansoni	sex comb on midleg homolog	0.0087	0.0644	0.0603
Schistosoma mansoni	neuropeptide receptor	0.0095	0.0726	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0887	0.1702
Schistosoma mansoni	transcription factor LCR-F1	0.0062	0.0396	0.0354
Echinococcus granulosus	tar DNA binding protein	0.0116	0.0925	0.0885
Brugia malayi	Bromodomain containing protein	0.0065	0.0423	0.0847
Brugia malayi	Peroxidasin	0.0032	0.0101	0.0203
Brugia malayi	MH1 domain containing protein	0.0036	0.0144	0.0289
Echinococcus multilocularis	tumor protein p63	0.0289	0.2626	0.2594
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0036	0.0144	0.0101
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0081	0.0581	0.5
Brugia malayi	Heterochromatin protein 1	0.0073	0.0508	0.1017
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.0101	0.0117
Trichomonas vaginalis	penicillin-binding protein, putative	0.0081	0.0581	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0031	0.0093	0.005
Trichomonas vaginalis	D-aminoacylase, putative	0.0081	0.0581	1
Loa Loa (eye worm)	hypothetical protein	0.0241	0.216	0.4273
Echinococcus multilocularis	smad	0.0036	0.0144	0.0101
Brugia malayi	RNA, U transporter 1	0.0074	0.0512	0.1025
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0243	0.2174	0.4301
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0223	0.2925
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0279	0.2529	0.2497
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.0101	0.0203
Echinococcus granulosus	beta LACTamase domain containing family member	0.0081	0.0581	0.054
Schistosoma mansoni	hypothetical protein	0.1039	1	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0081	0.0581	0.1086
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0279	0.2529	0.2497
Schistosoma mansoni	hypothetical protein	0.0241	0.216	0.2126
Brugia malayi	Importin beta-1 subunit	0.0026	0.0044	0.0087
Loa Loa (eye worm)	Smad1	0.0036	0.0144	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0581	0.1086
Schistosoma mansoni	tar DNA-binding protein	0.0116	0.0925	0.0885
Schistosoma mansoni	chromobox protein	0.0073	0.0508	0.0466
Plasmodium vivax	hypothetical protein, conserved	0.0081	0.0581	1
Schistosoma mansoni	chromobox protein	0.0073	0.0508	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0581	0.1086
Trypanosoma brucei	hypothetical protein, conserved	0.0081	0.0581	1
Echinococcus granulosus	smad	0.0036	0.0144	0.0101
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0243	0.2174	0.2139
Schistosoma mansoni	sex comb on midleg homolog	0.0087	0.0644	0.0603
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0099	0.0763	0.0722
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.0101	0.0117
Schistosoma mansoni	smad1 5 8 and	0.0036	0.0144	0.0101
Trichomonas vaginalis	esterase, putative	0.0081	0.0581	1
Brugia malayi	hypothetical protein	0.0262	0.2366	0.4736
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0036	0.0144	0.0101
Echinococcus granulosus	chromobox protein 1	0.0073	0.0508	0.0466
Loa Loa (eye worm)	heterochromatin protein 1	0.0073	0.0508	0.0938
Echinococcus granulosus	chromobox protein 1	0.0073	0.0508	0.0466
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0112	0.0887	0.0847
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0099	0.0763	0.0722
Echinococcus granulosus	GPCR family 2	0.0112	0.0887	0.0847
Trypanosoma cruzi	hypothetical protein, conserved	0.0081	0.0581	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.0101	0.0203
Entamoeba histolytica	hypothetical protein	0.0062	0.0396	0.5
Brugia malayi	MH2 domain containing protein	0.0036	0.0144	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0581	0.1086
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0112	0.0887	0.0847
Onchocerca volvulus		0.0081	0.0581	0.2119
Echinococcus granulosus	SAM and MBT domain containing protein	0.0087	0.0644	0.0603
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0112	0.0887	0.0847
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0087	0.0644	0.2397
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0243	0.2174	0.2139
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0062	0.0396	0.0354
Brugia malayi	beta-lactamase family protein	0.0081	0.0581	0.1163
Trichomonas vaginalis	penicillin-binding protein, putative	0.0081	0.0581	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0081	0.0581	0.054
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0243	0.2174	0.2139
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0081	0.0581	0.054
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0353	0.3257	0.6519
Schistosoma mansoni	cellular tumor antigen P53	0.0042	0.0205	0.0162
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.0101	0.0203
Schistosoma mansoni	tar DNA-binding protein	0.0116	0.0925	0.0885
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0279	0.2529	0.2497
Brugia malayi	MH2 domain containing protein	0.053	0.4997	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0243	0.2174	0.2139
Schistosoma mansoni	peroxidasin	0.0032	0.0101	0.0058
Echinococcus granulosus	peroxidasin	0.0032	0.0101	0.0058
Trypanosoma cruzi	hypothetical protein, conserved	0.0081	0.0581	0.5
Brugia malayi	mbt repeat family protein	0.0087	0.0644	0.129
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Schistosoma mansoni	hypothetical protein	0.0112	0.0887	0.0847
Loa Loa (eye worm)	beta-lactamase	0.0081	0.0581	0.1086
Toxoplasma gondii	ABC1 family protein	0.0081	0.0581	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0036	0.0144	0.0101
Echinococcus granulosus	Smad4	0.0036	0.0144	0.0101
Echinococcus granulosus	histone acetyltransferase MYST2	0.0099	0.0763	0.0722
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0223	0.2925
Mycobacterium ulcerans	hypothetical protein	0.0081	0.0581	0.5
Schistosoma mansoni	hypothetical protein	0.1039	1	1
Brugia malayi	MH2 domain containing protein	0.0036	0.0144	0.0289
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0099	0.0763	0.0722
Loa Loa (eye worm)	MH2 domain-containing protein	0.0036	0.0144	0.0203
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0116	0.0925	0.1779
Brugia malayi	chromobox protein homolog 3	0.0041	0.0192	0.0385
Echinococcus multilocularis	Smad4	0.0036	0.0144	0.0101
Schistosoma mansoni	Smad4	0.0036	0.0144	0.0101
Schistosoma mansoni	smad1 5 8 and	0.0036	0.0144	0.0101
Echinococcus granulosus	tumor protein p63	0.0289	0.2626	0.2594
Entamoeba histolytica	hypothetical protein	0.0062	0.0396	0.5
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0343	0.3158	0.3128
Brugia malayi	Smad1	0.0036	0.0144	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0114	0.0142
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.0508	0.8555
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Echinococcus multilocularis	polycomb protein SCMH1	0.0087	0.0644	0.0603
Loa Loa (eye worm)	transcription factor SMAD2	0.053	0.4997	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0763	0.1452
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.0101	0.0203
Schistosoma mansoni	hypothetical protein	0.0112	0.0887	0.0847
Brugia malayi	RNA recognition motif domain containing protein	0.0116	0.0925	0.1851
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.0223	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0101	0.0117
Echinococcus multilocularis	snurportin 1	0.0276	0.2503	0.247
Brugia malayi	Blistered cuticle protein 3	0.0032	0.0101	0.0203
Onchocerca volvulus		0.0262	0.2366	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0099	0.0763	0.1526
Brugia malayi	hypothetical protein	0.0032	0.0101	0.0203
Onchocerca volvulus		0.0081	0.0581	0.2119
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0205	0.0325
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0353	0.3257	0.6519
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0243	0.2174	0.2139
Brugia malayi	Bromodomain containing protein	0.0033	0.0113	0.0227
Onchocerca volvulus		0.0042	0.0205	0.0456
Entamoeba histolytica	hypothetical protein	0.0062	0.0396	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0134	0.0182
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0243	0.2174	0.2139
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0581	0.1086
Brugia malayi	mbt repeat family protein	0.0087	0.0644	0.129
Mycobacterium ulcerans	lipase LipD	0.0081	0.0581	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.015	0.0215

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.47 uM	Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins by ELISA	ChEMBL.	21542630
IC50 (binding)	= 1.4 uM	Inhibition of LTA4 hydrolase in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 0.5 hrs by ELISA	ChEMBL.	21542630
IC50 (binding)	= 13 uM	Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs by ELISA	ChEMBL.	21542630
IC50 (binding)	> 100 uM	Inhibition of purified COX1 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay	ChEMBL.	21542630
IC50 (binding)	> 100 uM	Inhibition of purified COX2 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay	ChEMBL.	21542630

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: CHEMBL1775088

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1556352