TDR Targets

Basic information

Technical information

TDR Targets ID: 220636
Name: 3-(4-fluorophenoxy)-6-methyl-2-(4-methylsulfo nylphenyl)pyran-4-one
MW: 374.383 | Formula: C19H15FO5S
H donors: 0 H acceptors: 3 LogP: 3.21 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)Oc1c(=O)cc(oc1c1ccc(cc1)S(=O)(=O)C)C
InChi: 1S/C19H15FO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3
InChiKey: RQVVYXPUTAFVJV-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-(4-fluorophenoxy)-6-methyl-2-(4-methylsulfonylphenyl)-4-pyranone
3-(4-fluorophenoxy)-2-(4-mesylphenyl)-6-methyl-pyran-4-one

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

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	neuropeptide receptor A26	0.0022	0.2181	0.2181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Schistosoma mansoni	amine GPCR	0.0022	0.2181	0.2181
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Brugia malayi	sulfakinin receptor protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	g protein coupled receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	neuropeptide receptor	0.0022	0.2181	0.2181
Brugia malayi	neuropeptide F receptor	0.0022	0.2181	0.2181
Brugia malayi	Serotonin receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	neuropeptide Y receptor	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	G protein coupled receptor 139	0.0022	0.2181	0.2181
Brugia malayi	putative neuropeptide receptor NPR1	0.0022	0.2181	0.2181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Onchocerca volvulus	Peroxidasin homolog	0.0032	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0022	0.2181	0.2181
Echinococcus granulosus	neuropeptide FF receptor 2	0.0022	0.2181	0.2181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Onchocerca volvulus	Dual oxidase homolog	0.0032	1	1
Onchocerca volvulus		0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Brugia malayi	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0022	0.2181	0.2181
Loa Loa (eye worm)	TYRA-2 protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	g-protein coupled receptor	0.0022	0.2181	0.2181
Brugia malayi	hypothetical protein	0.0022	0.2181	0.2181
Brugia malayi	G protein-coupled receptor F59B2.13	0.0022	0.2181	0.2181
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0022	0.2181	0.2181
Schistosoma mansoni	biogenic amine receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	somatostatin receptor	0.0022	0.2181	0.2181
Brugia malayi	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	myosin xvIII	0.0022	0.2181	0.2181
Schistosoma mansoni	histamine h1 receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	neuropeptide Y receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	g protein coupled receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	g protein coupled receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	7tm_1 domain containing protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	G protein coupled receptor 139	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	neuropeptide F receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0022	0.2181	0.2181
Schistosoma mansoni	amine GPCR	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0022	0.2181	0.2181
Brugia malayi	Animal haem peroxidase family protein	0.0032	1	1
Schistosoma mansoni	opsin-like receptor	0.0022	0.2181	0.2181
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Onchocerca volvulus		0.0032	1	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0022	0.2181	0.2181
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0022	0.2181	0.2181
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0022	0.2181	0.2181
Brugia malayi	Dopamine receptor protein 1	0.0022	0.2181	0.2181
Schistosoma mansoni	neuropeptide F-like receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	somatostatin receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	animal heme peroxidase	0.0032	1	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0022	0.2181	0.2181
Brugia malayi	putative neuropeptide receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	neuropeptides capa receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0022	0.2181	0.2181
Brugia malayi	AKH receptor	0.0022	0.2181	0.2181
Brugia malayi	Dopamine receptor	0.0022	0.2181	0.2181
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0022	0.2181	0.2181
Onchocerca volvulus	Peroxidase homolog	0.0032	1	1
Onchocerca volvulus		0.0022	0.2181	0.2181
Echinococcus granulosus	g-protein coupled receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0022	0.2181	0.2181
Echinococcus multilocularis	g protein coupled receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	fmrfamide receptor	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Schistosoma mansoni	opsin-like receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	fmrfamide receptor	0.0022	0.2181	0.2181
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0022	0.2181	0.2181
Brugia malayi	Animal haem peroxidase family protein	0.0032	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Onchocerca volvulus	Peroxidasin homolog	0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Echinococcus multilocularis	serotonin receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	peroxidasin	0.0032	1	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0022	0.2181	0.2181
Echinococcus multilocularis	neuropeptide receptor A26	0.0022	0.2181	0.2181
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	neuropeptide F-like receptor	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Brugia malayi	Animal haem peroxidase family protein	0.0032	1	1
Schistosoma mansoni	peroxidasin	0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	amine GPCR	0.0022	0.2181	0.2181
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	amine GPCR	0.0022	0.2181	0.2181
Echinococcus granulosus	biogenic amine 5HT receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	melatonin receptor type 1A	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0022	0.2181	0.2181
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0022	0.2181	0.2181
Brugia malayi	G protein-coupled receptor	0.0022	0.2181	0.2181
Brugia malayi	Melatonin receptor type 1A	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	allatostatin A receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0022	0.2181	0.2181
Echinococcus multilocularis	orexin receptor type 2	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	neuropeptide s receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0022	0.2181	0.2181
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Schistosoma mansoni	neuropeptide f receptor 76f	0.0022	0.2181	0.2181
Brugia malayi	Dopamine receptor protein 2	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Brugia malayi	RE15519p	0.0022	0.2181	0.2181
Brugia malayi	GnHR receptor homolog	0.0022	0.2181	0.2181
Echinococcus granulosus	sex peptide receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	serotonin receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	dro:myosuppressin receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Schistosoma mansoni	biogenic amine receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	blistered cuticle protein 3	0.0032	1	1
Onchocerca volvulus		0.0022	0.2181	0.2181
Echinococcus granulosus	g protein coupled receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	neuropeptide receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Schistosoma mansoni	biogenic amine receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	neuropeptide receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Echinococcus granulosus	tm gpcr rhodopsin	0.0022	0.2181	0.2181
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0022	0.2181	0.2181
Echinococcus multilocularis	allatostatin A receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	dro:myosuppressin receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	7TM GPCR rhodopsin	0.0022	0.2181	0.2181
Schistosoma mansoni	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	neuropeptide F receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Schistosoma mansoni	neuropeptide receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0022	0.2181	0.2181
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0022	0.2181	0.2181
Schistosoma mansoni	peroxidasin	0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Brugia malayi	G-protein coupled receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	animal heme peroxidase	0.0032	1	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0022	0.2181	0.2181
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0022	0.2181	0.2181
Brugia malayi	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	peroxidasin	0.0032	1	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0022	0.2181	0.2181
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Schistosoma mansoni	hypothetical protein	0.0022	0.2181	0.2181
Brugia malayi	ORL1-like opioid receptor	0.0022	0.2181	0.2181
Brugia malayi	neuropeptide F receptor	0.0022	0.2181	0.2181
Brugia malayi	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	neuropeptide Y receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Brugia malayi	Serotonin receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	serotonin receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Brugia malayi	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	opsin-like receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0022	0.2181	0.2181
Brugia malayi	hypothetical protein	0.0022	0.2181	0.2181
Onchocerca volvulus	Peroxidase homolog	0.0032	1	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0022	0.2181	0.2181
Brugia malayi	Peroxidasin	0.0032	1	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Loa Loa (eye worm)	G-protein coupled receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	neuropeptide receptor	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0022	0.2181	0.2181
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0022	0.2181	0.2181
Echinococcus multilocularis	fmrfamide receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	tm gpcr rhodopsin	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Brugia malayi	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	growth hormone secretagogue receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0022	0.2181	0.2181
Brugia malayi	Animal haem peroxidase family protein	0.0032	1	1
Onchocerca volvulus		0.0022	0.2181	0.2181
Echinococcus multilocularis	neuropeptides capa receptor	0.0022	0.2181	0.2181
Brugia malayi	follicle stimulating hormone receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Echinococcus multilocularis	neuropeptides capa receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	orexin receptor type 2	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	neuropeptide receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	neuropeptide receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	neuropeptide Y receptor	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Echinococcus granulosus	rhodopsin orphan GPCR	0.0022	0.2181	0.2181
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0022	0.2181	0.2181
Schistosoma mansoni	amine GPCR	0.0022	0.2181	0.2181
Echinococcus granulosus	tm gpcr rhodopsin	0.0022	0.2181	0.2181
Schistosoma mansoni	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0022	0.2181	0.2181
Schistosoma mansoni	adenoreceptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0022	0.2181	0.2181
Loa Loa (eye worm)	animal heme peroxidase	0.0032	1	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0022	0.2181	0.2181
Brugia malayi	larval opioid receptor	0.0022	0.2181	0.2181
Echinococcus multilocularis	neuropeptide s receptor	0.0022	0.2181	0.2181
Brugia malayi	G-protein coupled receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.0022	0.2181	0.2181
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0022	0.2181	0.2181
Brugia malayi	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Brugia malayi	Blistered cuticle protein 3	0.0032	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0022	0.2181	0.2181
Brugia malayi	hypothetical protein	0.0022	0.2181	0.2181
Schistosoma mansoni	neuropeptide receptor	0.0022	0.2181	0.2181
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0022	0.2181	0.2181
Echinococcus multilocularis	g protein coupled receptor	0.0022	0.2181	0.2181
Brugia malayi	Animal haem peroxidase family protein	0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Onchocerca volvulus	Chorion peroxidase homolog	0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	hypothetical protein	0.0022	0.2181	0.2181
Onchocerca volvulus		0.0022	0.2181	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus multilocularis	sex peptide receptor	0.0022	0.2181	0.2181
Loa Loa (eye worm)	animal heme peroxidase	0.0032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2181	0.2181
Echinococcus granulosus	biogenic amine 5HT receptor	0.0022	0.2181	0.2181

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.22 mg kg-1	Compound was tested in vivo for adjuvant arthritis in rat	ChEMBL.	15239665
ED50 (functional)	= 1.9 mg kg-1	Effective dose in the yeast-induced pyresis model in rat	ChEMBL.	15239665
IC50 (binding)	= 6.0088	Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood	ChEMBL.	15603946
IC50 (binding)	= 0.98 uM	Inhibition concentration against cyclooxygenase-2(COX-2) in human whole blood	ChEMBL.	15239665
IC50 (binding)	= 0.98 uM	Inhibition concentration against cyclooxygenase-2(COX-2) in human whole blood	ChEMBL.	15239665
IC50 (binding)	> 100 uM	Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood	ChEMBL.	15239665
IC50 (binding)	> 100 uM	Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood	ChEMBL.	15239665
Inhibition (functional)	= 42 %	In vivo inhibition of hyperalgesia in rat at 3 mg/kg	ChEMBL.	15239665
Log IC50 (binding)	= 6.0088	Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood	ChEMBL.	15603946
Ratio (binding)	> 102	Ratio of inhibitory activity of the compound against cyclooxygenase- (COX-1) to that of cyclooxygenase- (COX-2)	ChEMBL.	15239665
Ratio (binding)	> 102	Ratio of inhibitory activity of the compound against cyclooxygenase- (COX-1) to that of cyclooxygenase- (COX-2)	ChEMBL.	15239665

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: CHEMBL127084
PubChem: 11234177

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 220636