TDR Targets

Basic information

Technical information

TDR Targets ID: 261213
Name: 5-[(3,5-difluorophenyl)methyl]-6-(4-methylsul fonylphenyl)-1,3-benzodioxole
MW: 402.411 | Formula: C21H16F2O4S
H donors: 0 H acceptors: 2 LogP: 4.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cc(cc(c1)F)Cc1cc2OCOc2cc1c1ccc(cc1)S(=O)(=O)C
InChi: 1S/C21H16F2O4S/c1-28(24,25)18-4-2-14(3-5-18)19-11-21-20(26-12-27-21)9-15(19)6-13-7-16(22)10-17(23)8-13/h2-5,7-11H,6,12H2,1H3
InChiKey: KRYBJPYEJPSZRQ-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

5-(3,5-difluorobenzyl)-6-(4-mesylphenyl)-1,3-benzodioxole

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trichomonas vaginalis	aldo/keto reductase, putative	0.039	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0056	0.1114	0.1114
Giardia lamblia	Aldose reductase	0.039	1	0.5
Schistosoma mansoni	aldo-keto reductase	0.039	1	1
Brugia malayi	G protein-coupled receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	neuropeptide F-like receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	amine GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Brugia malayi	hypothetical protein	0.0056	0.1114	0.1114
Brugia malayi	G protein-coupled receptor F59B2.13	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	aldo keto reductase	0.039	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Echinococcus multilocularis	neuropeptide s receptor	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo-keto reductase, putative	0.0113	0.2622	0.2189
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus multilocularis	dro:myosuppressin receptor	0.0056	0.1114	0.1114
Leishmania major	cytochrome p450-like protein	0.0024	0.0239	0.0239
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	aldo keto reductase	0.039	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Schistosoma mansoni	amine GPCR	0.0056	0.1114	0.1114
Brugia malayi	Melatonin receptor type 1A	0.0056	0.1114	0.1114
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0056	0.1114	0.1114
Brugia malayi	G-protein coupled receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0056	0.1114	0.1114
Mycobacterium ulcerans	oxidoreductase	0.039	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Onchocerca volvulus		0.039	1	1
Echinococcus multilocularis	g protein coupled receptor	0.0056	0.1114	0.1114
Brugia malayi	sulfakinin receptor protein	0.0056	0.1114	0.1114
Leishmania major	prostaglandin f synthase, putative	0.039	1	1
Onchocerca volvulus		0.039	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.0239	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Schistosoma mansoni	adenoreceptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	serotonin receptor	0.0056	0.1114	0.1114
Brugia malayi	Dopamine receptor protein 2	0.0056	0.1114	0.1114
Loa Loa (eye worm)	oxidoreductase	0.039	1	1
Schistosoma mansoni	opsin-like receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	fmrfamide receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.039	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0713	0.0713
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.039	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	g protein coupled receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	sex peptide receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	cytochrome P450 family protein	0.0054	0.1042	0.1042
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.039	1	1
Echinococcus granulosus	neuropeptide s receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	oxidoreductase	0.039	1	1
Echinococcus granulosus	neuropeptide receptor A26	0.0056	0.1114	0.1114
Echinococcus granulosus	neuropeptide Y receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus multilocularis	neuropeptides capa receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	sex peptide receptor	0.0056	0.1114	0.1114
Brugia malayi	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.0621	0.0621
Echinococcus granulosus	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0056	0.1114	0.1114
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0113	0.2622	0.2622
Brugia malayi	hypothetical protein	0.0056	0.1114	0.1114
Mycobacterium tuberculosis	Conserved protein	0.0113	0.2622	0.2622
Toxoplasma gondii	aldose reductase, putative	0.039	1	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	oxidoreductase	0.039	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0056	0.1114	0.1114
Brugia malayi	hypothetical protein	0.0056	0.1114	0.1114
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0038	0.0621	0.0621
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0113	0.2622	0.2622
Echinococcus granulosus	aldo keto reductase	0.039	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	neuropeptide receptor A26	0.0056	0.1114	0.1114
Entamoeba histolytica	aldose reductase, putative	0.039	1	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	somatostatin receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus multilocularis	aldo keto reductase	0.039	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.039	1	1
Schistosoma mansoni	neuropeptide receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	serotonin receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	neuropeptides capa receptor	0.0056	0.1114	0.1114
Brugia malayi	G-protein coupled receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	melatonin receptor type 1A	0.0056	0.1114	0.1114
Brugia malayi	hypothetical protein	0.0056	0.1114	0.1114
Schistosoma mansoni	aldo-keto reductase	0.039	1	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus multilocularis	fmrfamide receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Echinococcus granulosus	dro:myosuppressin receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.0239	0.0239
Echinococcus multilocularis	aldo keto reductase	0.039	1	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0113	0.2622	0.2622
Echinococcus multilocularis	g protein coupled receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	neuropeptides capa receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Schistosoma mansoni	opsin-like receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	g-protein coupled receptor	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.039	1	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0113	0.2622	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.0056	0.1114	0.1114
Echinococcus granulosus	neuropeptide receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0488	0.0488
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0056	0.1114	0.1114
Plasmodium falciparum	aldehyde reductase, putative	0.0113	0.2622	0.5
Schistosoma mansoni	biogenic amine receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	allatostatin A receptor	0.0056	0.1114	0.1114
Brugia malayi	hypothetical protein	0.0056	0.1114	0.1114
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	G protein coupled receptor 139	0.0056	0.1114	0.1114
Onchocerca volvulus		0.039	1	1
Echinococcus granulosus	allatostatin A receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0056	0.1114	0.1114
Brugia malayi	Cytochrome P450 family protein	0.0024	0.0239	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus multilocularis	aldehyde reductase	0.0277	0.6991	0.6991
Entamoeba histolytica	aldose reductase, putative	0.039	1	1
Echinococcus granulosus	aldehyde reductase	0.0277	0.6991	0.6991
Echinococcus granulosus	g protein coupled receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	tm gpcr rhodopsin	0.0056	0.1114	0.1114
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.039	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Mycobacterium leprae	Conserved hypothetical protein	0.0277	0.6991	0.6991
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Brugia malayi	NADH-dependent xylose reductase	0.0113	0.2622	0.2622
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.039	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Brugia malayi	Cytochrome P450 family protein	0.0054	0.1042	0.1042
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.039	1	1
Brugia malayi	Dopamine receptor protein 1	0.0056	0.1114	0.1114
Brugia malayi	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	oxidoreductase	0.039	1	1
Echinococcus multilocularis	aldo keto reductase	0.039	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.039	1	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0056	0.1114	0.1114
Schistosoma mansoni	amine GPCR	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Brugia malayi	ORL1-like opioid receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	hypothetical protein	0.0056	0.1114	0.1114
Onchocerca volvulus		0.0113	0.2622	0.1697
Loa Loa (eye worm)	G-protein coupled receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1114	0.1114
Echinococcus granulosus	neuropeptide receptor	0.0056	0.1114	0.1114
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0056	0.1114	0.1114
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Schistosoma mansoni	neuropeptide f receptor 76f	0.0056	0.1114	0.1114
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	CYP4Cod1	0.0024	0.0239	0.0239
Echinococcus granulosus	tm gpcr rhodopsin	0.0056	0.1114	0.1114
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0056	0.1114	0.1114
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1114	0.1114
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0056	0.1114	0.1114
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Echinococcus granulosus	voltage gated potassium channel subunit	0.0113	0.2622	0.2622
Leishmania major	aldo-keto reductase-like protein	0.039	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0024	0.0239	0.0239
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.039	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	neuropeptide receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Brugia malayi	putative neuropeptide receptor NPR1	0.0056	0.1114	0.1114
Echinococcus multilocularis	neuropeptide receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	hypothetical protein	0.039	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Schistosoma mansoni	biogenic amine receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0056	0.1114	0.1114
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0056	0.1114	0.1114
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0056	0.1114	0.1114
Trypanosoma brucei	cytochrome P450, putative	0.0024	0.0239	0.0239
Echinococcus multilocularis	fmrfamide receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0113	0.2622	0.2622
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0056	0.1114	0.1114
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0056	0.1114	0.1114
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0056	0.1114	0.1114
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Schistosoma mansoni	biogenic amine receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	neuropeptide Y receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	oxidoreductase	0.039	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Plasmodium vivax	aldehyde reductase, putative	0.0113	0.2622	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	neuropeptides capa receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0113	0.2622	0.2622
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0113	0.2622	0.2189
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.039	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Schistosoma mansoni	neuropeptide receptor	0.0056	0.1114	0.1114
Brugia malayi	RE15519p	0.0056	0.1114	0.1114
Brugia malayi	Serotonin receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	orexin receptor type 2	0.0056	0.1114	0.1114
Echinococcus granulosus	g protein coupled receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Brugia malayi	follicle stimulating hormone receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	myosin xvIII	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Mycobacterium leprae	Possible oxidoreductase	0.0113	0.2622	0.2622
Onchocerca volvulus		0.039	1	1
Brugia malayi	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0056	0.1114	0.1114
Trypanosoma cruzi	cytochrome P450, putative	0.0024	0.0239	0.0239
Trypanosoma cruzi	aldo/keto reductase, putative	0.039	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1114	0.1114
Onchocerca volvulus		0.039	1	1
Entamoeba histolytica	aldose reductase, putative	0.039	1	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0056	0.1114	0.1114
Loa Loa (eye worm)	G-protein coupled receptor	0.0056	0.1114	0.1114
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.039	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0056	0.1114	0.1114
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0056	0.1114	0.1114
Echinococcus granulosus	tm gpcr rhodopsin	0.0056	0.1114	0.1114
Schistosoma mansoni	pol-related	0.039	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.039	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0113	0.2622	0.2189
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	neuropeptide receptor	0.0056	0.1114	0.1114
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0056	0.1114	0.1114
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0056	0.1114	0.1114
Brugia malayi	GnHR receptor homolog	0.0056	0.1114	0.1114
Echinococcus granulosus	neuropeptide FF receptor 2	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Schistosoma mansoni	neuropeptide receptor	0.0056	0.1114	0.1114
Plasmodium falciparum	aldo-keto reductase, putative	0.0113	0.2622	0.5
Brugia malayi	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Brugia malayi	Dopamine receptor	0.0056	0.1114	0.1114
Brugia malayi	larval opioid receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0038	0.0621	0.0621
Brugia malayi	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.039	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	g protein coupled receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.039	1	1
Schistosoma mansoni	amine GPCR	0.0056	0.1114	0.1114
Echinococcus granulosus	G protein coupled receptor 139	0.0056	0.1114	0.1114
Brugia malayi	AKH receptor	0.0056	0.1114	0.1114
Brugia malayi	neuropeptide F receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.039	1	1
Onchocerca volvulus		0.039	1	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo-keto reductase, putative	0.0113	0.2622	0.2189
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0713	0.0713
Echinococcus granulosus	somatostatin receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Mycobacterium ulcerans	hypothetical protein	0.0113	0.2622	0.2622
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Schistosoma mansoni	amine GPCR	0.0056	0.1114	0.1114
Toxoplasma gondii	aldo-keto reductase	0.0113	0.2622	0.2622
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0056	0.1114	0.1114
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.039	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.039	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo/keto reductase, putative	0.039	1	1
Schistosoma mansoni	opsin-like receptor	0.0056	0.1114	0.1114
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.039	1	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0056	0.1114	0.1114
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0056	0.1114	0.1114
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0113	0.2622	0.2622
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0113	0.2622	0.2622
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0038	0.0621	0.0621
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1114	0.1114
Loa Loa (eye worm)	neuropeptide F receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Echinococcus granulosus	biogenic amine 5HT receptor	0.0056	0.1114	0.1114
Schistosoma mansoni	hypothetical protein	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Echinococcus granulosus	serotonin receptor	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo-keto reductase, putative	0.0113	0.2622	0.2189
Brugia malayi	Serotonin receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	g-protein coupled receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.039	1	1
Schistosoma mansoni	histamine h1 receptor	0.0056	0.1114	0.1114
Trypanosoma brucei	aldo-keto reductase, putative	0.039	1	1
Brugia malayi	Cytochrome P450 family protein	0.0024	0.0239	0.0239
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0056	0.1114	0.1114
Giardia lamblia	Aldose reductase	0.039	1	0.5
Brugia malayi	putative neuropeptide receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	biogenic amine 5HT receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	7TM GPCR rhodopsin	0.0056	0.1114	0.1114
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0024	0.0239	0.0239
Echinococcus granulosus	orexin receptor type 2	0.0056	0.1114	0.1114
Schistosoma mansoni	hypothetical protein	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo-keto reductase, putative	0.039	1	1
Schistosoma mansoni	potassium channel beta	0.0113	0.2622	0.2622
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Brugia malayi	neuropeptide F receptor	0.0056	0.1114	0.1114
Trypanosoma cruzi	aldo-keto reductase	0.039	1	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0113	0.2622	0.2622
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0056	0.1114	0.1114
Echinococcus granulosus	aldo keto reductase	0.039	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0056	0.1114	0.1114
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0056	0.1114	0.1114
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.039	1	1
Trypanosoma brucei	prostaglandin f synthase	0.039	1	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0056	0.1114	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1114	0.1114
Trichomonas vaginalis	aldo/keto reductase, putative	0.039	1	1
Trypanosoma brucei	aldo/keto reductase, putative	0.0113	0.2622	0.2622

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 15 %	Compound was tested for in vitro inhibition of recombinant ovine Prostaglandin G/H synthase 1 (COX-1) at a concentration of 100 microM	ChEMBL.	14640557
Inhibition (binding)	= 15 %	In vitro average percent Inhibition of Prostaglandin G/H synthase 2 (COX-2) at a concentration of 1 microM in human whole blood by human whole blood assay	ChEMBL.	14640557
Inhibition (binding)	= 15 %	Compound was tested for in vitro inhibition of recombinant ovine Prostaglandin G/H synthase 1 (COX-1) at a concentration of 100 microM	ChEMBL.	14640557
Inhibition (binding)	= 15 %	In vitro average percent Inhibition of Prostaglandin G/H synthase 2 (COX-2) at a concentration of 1 microM in human whole blood by human whole blood assay	ChEMBL.	14640557
Inhibition (binding)	= 40 %	In vitro average percent Inhibition of Prostaglandin G/H synthase 2 (COX-2) at a concentration of 10 microM in human whole blood by human whole blood assay	ChEMBL.	14640557
Inhibition (binding)	= 40 %	In vitro average percent Inhibition of Prostaglandin G/H synthase 2 (COX-2) at a concentration of 10 microM in human whole blood by human whole blood assay	ChEMBL.	14640557
Inhibition (binding)	= 70 %	In vitro average percent Inhibition of inhibition of Prostaglandin G/H synthase 1 (COX-1) at a concentration of 100 microM in human whole blood by human whole blood assay	ChEMBL.	14640557
Inhibition (binding)	= 70 %	In vitro average percent Inhibition of inhibition of Prostaglandin G/H synthase 1 (COX-1) at a concentration of 100 microM in human whole blood by human whole blood assay	ChEMBL.	14640557
Inhibition (binding)	= 90 %	In vitro percent Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2) at a concentration of 10 microM	ChEMBL.	14640557
Inhibition (binding)	= 90 %	In vitro percent Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2) at a concentration of 1 microM	ChEMBL.	14640557
Inhibition (binding)	= 90 %	In vitro percent Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2) at a concentration of 10 microM	ChEMBL.	14640557
Inhibition (binding)	= 90 %	In vitro percent Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2) at a concentration of 1 microM	ChEMBL.	14640557

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: CHEMBL357734
PubChem: 10179222

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 261213