TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 291.326 | Formula: C13H13N3O3S
H donors: 1 H acceptors: 2 LogP: 2.23 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)N
InChi: 1S/C13H13N3O3S/c1-19-12-6-2-10(3-7-12)15-16-11-4-8-13(9-5-11)20(14,17)18/h2-9H,1H3,(H2,14,17,18)/b16-15+
InChiKey: IPDZIIYOQAEWIC-FOCLMDBBSA-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

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
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Onchocerca volvulus		0.0049	0.0622	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0233	0.8872	0.8797
Brugia malayi	sulfakinin receptor protein	0.0049	0.0622	0.0622
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0049	0.0622	0.0162
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0049	0.0622	0.0162
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0207	0.7715	0.7563
Brugia malayi	Tyrosine-protein kinase abl-1	0.0058	0.1037	0.1037
Entamoeba histolytica	protein kinase, putative	0.0207	0.7715	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0051	0.0712	0.0257
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0092	0.2539	1
Schistosoma mansoni	hypothetical protein	0.0049	0.0622	0.0162
Brugia malayi	Serotonin receptor	0.0049	0.0622	0.0622
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0092	0.2539	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0258	1	1
Brugia malayi	G-protein coupled receptor	0.0049	0.0622	0.0622
Schistosoma mansoni	neuropeptide receptor	0.0049	0.0622	0.0162
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0049	0.0622	0.0622
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0049	0.0622	0.0622
Brugia malayi	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	neuropeptide receptor	0.0049	0.0622	0.0162
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0258	1	1
Schistosoma mansoni	biogenic amine receptor	0.0049	0.0622	0.0162
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0258	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0258	1	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0049	0.0622	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	amine GPCR	0.0049	0.0622	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0092	0.2539	0.2044
Brugia malayi	protein-tyrosine kinase	0.0233	0.8872	0.8872
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0092	0.2539	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0049	0.0622	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0258	1	1
Brugia malayi	follicle stimulating hormone receptor	0.0049	0.0622	0.0622
Echinococcus granulosus	tyrosine kinase	0.0233	0.8872	0.8797
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0049	0.0622	0.0622
Loa Loa (eye worm)	G-protein coupled receptor	0.0049	0.0622	0.0622
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0049	0.0622	0.0622
Schistosoma mansoni	hypothetical protein	0.0049	0.0622	0.0162
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0051	0.0712	0.0712
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Brugia malayi	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2539	0.2539
Brugia malayi	G protein-coupled receptor	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Brugia malayi	Dopamine receptor protein 2	0.0049	0.0622	0.0622
Plasmodium vivax	flavodoxin domain containing protein	0.0081	0.2072	0.8159
Brugia malayi	hypothetical protein	0.0049	0.0622	0.0622
Leishmania major	p450 reductase, putative	0.0092	0.2539	1
Echinococcus granulosus	growth factor receptor bound protein 2	0.0051	0.0712	0.0096
Loa Loa (eye worm)	G-protein coupled receptor	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	nck2/grb4	0.0051	0.0712	0.0257
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0622	0.0162
Onchocerca volvulus		0.0049	0.0622	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0051	0.0712	0.0096
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0258	1	1
Loa Loa (eye worm)	TYRA-2 protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Brugia malayi	putative neuropeptide receptor NPR1	0.0049	0.0622	0.0622
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Brugia malayi	hypothetical protein	0.0049	0.0622	0.0622
Brugia malayi	putative neuropeptide receptor	0.0049	0.0622	0.0622
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0622	0.0162
Onchocerca volvulus		0.0049	0.0622	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Brugia malayi	G protein-coupled receptor F59B2.13	0.0049	0.0622	0.0622
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0058	0.1037	0.0443
Schistosoma mansoni	growth factor receptor-bound protein	0.0051	0.0712	0.0257
Onchocerca volvulus		0.0049	0.0622	0.5
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0092	0.2539	1
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0092	0.2539	0.2044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus granulosus	tyrosine protein kinase Blk	0.0233	0.8872	0.8797
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0049	0.0622	0.0162
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0258	1	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0712	0.0712
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0049	0.0622	0.0162
Treponema pallidum	flavodoxin	0.0035	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0233	0.8872	0.8797
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0258	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus granulosus	tyrosine protein kinase HCK	0.0207	0.7715	0.7563
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0622	0.0162
Brugia malayi	G-protein coupled receptor	0.0049	0.0622	0.0622
Toxoplasma gondii	flavodoxin domain-containing protein	0.0045	0.0467	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0049	0.0622	0.0162
Brugia malayi	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	cytochrome P450 reductase	0.0092	0.2539	0.2173
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Brugia malayi	neuropeptide F receptor	0.0049	0.0622	0.0622
Onchocerca volvulus		0.0049	0.0622	0.5
Echinococcus granulosus	c src tyrosine kinase	0.0058	0.1037	0.0443
Brugia malayi	RE15519p	0.0049	0.0622	0.0622
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0092	0.2539	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0049	0.0622	0.0162
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0057	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0092	0.2539	0.2044
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0057	0.0966	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	tyrosine kinase	0.0058	0.1037	0.0598
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0049	0.0622	0.0162
Brugia malayi	Variant SH3 domain containing protein	0.0051	0.0712	0.0712
Brugia malayi	hypothetical protein	0.0049	0.0622	0.0622
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0092	0.2539	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0049	0.0622	0.0622
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0092	0.2539	0.2539
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0092	0.2539	0.2044
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0058	0.1037	0.0598
Schistosoma mansoni	biogenic amine receptor	0.0049	0.0622	0.0162
Schistosoma mansoni	opsin-like receptor	0.0049	0.0622	0.0162
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0226	0.8547	0.845
Schistosoma mansoni	amine GPCR	0.0049	0.0622	0.0162
Schistosoma mansoni	opsin-like receptor	0.0049	0.0622	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus multilocularis	NCK adaptor protein	0.0051	0.0712	0.0096
Schistosoma mansoni	histamine h1 receptor	0.0049	0.0622	0.0162
Schistosoma mansoni	myosin xvIII	0.0049	0.0622	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	tyrosine kinase	0.0058	0.1037	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	TK protein kinase	0.0207	0.7715	0.7715
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0258	1	1
Plasmodium falciparum	nitric oxide synthase, putative	0.0092	0.2539	1
Onchocerca volvulus		0.0049	0.0622	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0049	0.0622	0.0622
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0622	0.0162
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0049	0.0622	0.0162
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0092	0.2539	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Brugia malayi	larval opioid receptor	0.0049	0.0622	0.0622
Schistosoma mansoni	opsin-like receptor	0.0049	0.0622	0.0162
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0049	0.0622	0.0622
Brugia malayi	Dopamine receptor protein 1	0.0049	0.0622	0.0622
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0049	0.0622	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Toxoplasma gondii	flavodoxin domain-containing protein	0.0045	0.0467	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Onchocerca volvulus		0.0049	0.0622	0.5
Brugia malayi	Melatonin receptor type 1A	0.0049	0.0622	0.0622
Schistosoma mansoni	amine GPCR	0.0049	0.0622	0.0162
Onchocerca volvulus		0.0049	0.0622	0.5
Onchocerca volvulus		0.0049	0.0622	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0049	0.0622	0.0162
Brugia malayi	Serotonin receptor	0.0049	0.0622	0.0622
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0622	0.0162
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0258	1	1
Chlamydia trachomatis	sulfite reductase	0.0057	0.0966	0.5
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0258	1	1
Schistosoma mansoni	adapter molecule crk	0.0051	0.0712	0.0257
Schistosoma mansoni	hypothetical protein	0.0049	0.0622	0.0162
Schistosoma mansoni	amine GPCR	0.0049	0.0622	0.0162
Brugia malayi	flavodoxin family protein	0.0092	0.2539	0.2539
Brugia malayi	Variant SH3 domain containing protein	0.0051	0.0712	0.0712
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0049	0.0622	0.0622
Loa Loa (eye worm)	TK protein kinase	0.0233	0.8872	0.8872
Onchocerca volvulus		0.0049	0.0622	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0258	1	1
Brugia malayi	ORL1-like opioid receptor	0.0049	0.0622	0.0622
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	biogenic amine receptor	0.0049	0.0622	0.0162
Onchocerca volvulus		0.0049	0.0622	0.5
Schistosoma mansoni	neuropeptide receptor	0.0049	0.0622	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0058	0.1037	0.0443
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0622	0.0162
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0622	0.0162
Echinococcus multilocularis	methionine synthase reductase	0.0057	0.0966	0.0367
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0049	0.0622	0.5
Onchocerca volvulus		0.0049	0.0622	0.5
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0092	0.2539	1
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0046	0.0499	0.0033
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0049	0.0622	0.0162
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0049	0.0622	0.0162
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0051	0.0712	0.0257
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0233	0.8872	0.8797
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0258	1	1
Echinococcus granulosus	NCK adaptor protein	0.0051	0.0712	0.0096
Brugia malayi	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	SRC-1	0.0258	1	1
Brugia malayi	FAD binding domain containing protein	0.0092	0.2539	0.2539
Trichomonas vaginalis	sulfite reductase, putative	0.0092	0.2539	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.0049	0.0622	0.0622
Brugia malayi	hypothetical protein	0.0049	0.0622	0.0622
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0092	0.2539	1
Giardia lamblia	Hypothetical protein	0.0081	0.2072	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0622	0.0162
Brugia malayi	Dopamine receptor	0.0049	0.0622	0.0622
Brugia malayi	Sex muscle abnormal protein 5	0.0051	0.0712	0.0712
Loa Loa (eye worm)	neuropeptide F receptor	0.0049	0.0622	0.0622
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0049	0.0622	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Onchocerca volvulus		0.0049	0.0622	0.5
Leishmania major	cytochrome P450 reductase, putative	0.0081	0.2072	0.8159
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	tyrosine kinase	0.0258	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Loa Loa (eye worm)	neuropeptide F receptor	0.0049	0.0622	0.0622
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0258	1	1
Brugia malayi	GnHR receptor homolog	0.0049	0.0622	0.0622
Brugia malayi	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	neuropeptide f receptor 76f	0.0049	0.0622	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	growth hormone secretagogue receptor	0.0049	0.0622	0.0162
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0258	1	1
Giardia lamblia	Nitric oxide synthase, inducible	0.0081	0.2072	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0049	0.0622	0.0162
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0233	0.8872	0.8797
Echinococcus multilocularis	c src tyrosine kinase	0.0058	0.1037	0.0443
Schistosoma mansoni	neuropeptide receptor	0.0049	0.0622	0.0162
Onchocerca volvulus		0.0049	0.0622	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0049	0.0622	0.0162
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0258	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0622	0.0162
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0049	0.0622	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Onchocerca volvulus		0.0049	0.0622	0.5
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0081	0.2072	0.8159
Onchocerca volvulus		0.0049	0.0622	0.5
Schistosoma mansoni	adenoreceptor	0.0049	0.0622	0.0162
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0226	0.8547	0.845
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Brugia malayi	FAD binding domain containing protein	0.0057	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0258	1	1
Trypanosoma cruzi	p450 reductase, putative	0.0092	0.2539	1
Brugia malayi	neuropeptide F receptor	0.0049	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0622	0.0622
Brugia malayi	hypothetical protein	0.0049	0.0622	0.0622
Schistosoma mansoni	tyrosine kinase	0.0258	1	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0058	0.1037	0.0443
Schistosoma mansoni	amine GPCR	0.0049	0.0622	0.0162
Onchocerca volvulus		0.0049	0.0622	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0049	0.0622	0.0162
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0092	0.2539	1
Brugia malayi	AKH receptor	0.0049	0.0622	0.0622
Echinococcus granulosus	methionine synthase reductase	0.0057	0.0966	0.0367
Schistosoma mansoni	hypothetical protein	0.0049	0.0622	0.0162
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0051	0.0712	0.0712

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 14.63 uM	Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte	ChEMBL.	16814546
IC50 (functional)	= 14.63 uM	Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte	ChEMBL.	16814546
IC50 (functional)	> 100 uM	Inhibition of COX1 assessed as TBX2 production in human whole blood	ChEMBL.	16814546
IC50 (functional)	> 100 uM	Inhibition of COX1 assessed as TBX2 production in human whole blood	ChEMBL.	16814546
Selectivity index (functional)	= 9.48	Selectivity index, IC50 for COX1/IC50 for COX2 in human whole blood	ChEMBL.	16814546
Selectivity index (functional)	= 9.48	Selectivity index, IC50 for COX1/IC50 for COX2 in human whole blood	ChEMBL.	16814546

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.

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External resources for this compound

ChEMBL: CHEMBL213267

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 371469