TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 607.567 | Formula: C20H19F6N3O6S3
H donors: 1 H acceptors: 7 LogP: 3.13 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O=S(=O)(C(F)(F)F)NC1CC21CCN(CC2)S(=O)(=O)c1cc(ccc1S(=O)(=O)c1ccccn1)C(F)(F)F
InChi: 1S/C20H19F6N3O6S3/c21-19(22,23)13-4-5-14(36(30,31)17-3-1-2-8-27-17)15(11-13)37(32,33)29-9-6-18(7-10-29)12-16(18)28-38(34,35)20(24,25)26/h1-5,8,11,16,28H,6-7,9-10,12H2
InChiKey: IEEFYXFSZIMIJN-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	cannabinoid receptor 2 (macrophage)	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	g protein coupled receptor	0.0006	0.0298	0.0224
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0939	0.1283
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Echinococcus granulosus	neuropeptide receptor A26	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Brugia malayi	G-protein coupled receptor	0.0006	0.0298	0.0329
Toxoplasma gondii	aldehyde dehydrogenase	0.0066	0.9966	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0004	0.0077	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0298	0.0223
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	cpg binding protein	0.0033	0.4678	0.4637
Echinococcus granulosus	neuropeptide Y receptor	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0298	0.0223
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0525	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0006	0.0298	0.0223
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0298	0.0223
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0006	0.0298	0.0224
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	g protein coupled receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	cpg binding protein	0.0031	0.4393	0.435
Brugia malayi	AKH receptor	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0939	0.0872
Echinococcus granulosus	serotonin receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	myosin xvIII	0.0006	0.0298	0.0223
Echinococcus granulosus	fmrfamide receptor	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Schistosoma mansoni	hypothetical protein	0.0035	0.5024	0.4985
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.9966	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0006	0.0298	0.0224
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0525	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	allatostatin A receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0298	0.0223
Brugia malayi	RE15519p	0.0006	0.0298	0.0329
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0006	0.0298	0.0329
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.6802	0.68
Schistosoma mansoni	amine GPCR	0.0006	0.0298	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	TYRA-2 protein	0.0006	0.0298	0.0329
Echinococcus granulosus	neuropeptide Y receptor	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Schistosoma mansoni	adenoreceptor	0.0006	0.0298	0.0223
Loa Loa (eye worm)	neuropeptide F receptor	0.0006	0.0298	0.0329
Brugia malayi	hypothetical protein	0.0006	0.0298	0.0329
Entamoeba histolytica	hypothetical protein	0.0035	0.5024	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0006	0.0298	0.0223
Echinococcus multilocularis	fmrfamide receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0006	0.0298	0.0224
Echinococcus multilocularis	neuropeptide receptor	0.0006	0.0298	0.0224
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0634	0.0564
Brugia malayi	putative neuropeptide receptor	0.0006	0.0298	0.0329
Trichomonas vaginalis	helicase, putative	0.0007	0.0525	1
Brugia malayi	G-protein coupled receptor	0.0006	0.0298	0.0329
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Brugia malayi	Serotonin receptor	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0066	0.9966	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Brugia malayi	hypothetical protein	0.0006	0.0298	0.0329
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0298	0.0223
Entamoeba histolytica	hypothetical protein	0.0035	0.5024	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Brugia malayi	putative neuropeptide receptor NPR1	0.0006	0.0298	0.0329
Mycobacterium leprae	putative cytochrome p450	0.0004	0.0077	0.5
Brugia malayi	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	tm gpcr rhodopsin	0.0006	0.0298	0.0224
Onchocerca volvulus		0.0031	0.4393	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0298	0.0223
Echinococcus multilocularis	neuropeptides capa receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0298	0.0223
Schistosoma mansoni	hypothetical protein	0.0006	0.0298	0.0223
Echinococcus multilocularis	g protein coupled receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	g protein coupled receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	7TM GPCR rhodopsin	0.0006	0.0298	0.0224
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	serotonin receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	neuropeptide s receptor	0.0006	0.0298	0.0224
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.6802	0.68
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0298	0.0223
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0006	0.0298	0.0224
Echinococcus multilocularis	G protein coupled receptor 139	0.0006	0.0298	0.0224
Echinococcus multilocularis	g-protein coupled receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	cpg binding protein	0.0033	0.4678	0.4637
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0298	0.0223
Echinococcus granulosus	biogenic amine 5HT receptor	0.0006	0.0298	0.0224
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	neuropeptide receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0109	0.0033
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0006	0.0298	0.0223
Schistosoma mansoni	opsin-like receptor	0.0006	0.0298	0.0223
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0006	0.0298	0.0224
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.6802	0.6777
Echinococcus granulosus	tm gpcr rhodopsin	0.0006	0.0298	0.0224
Echinococcus granulosus	dro:myosuppressin receptor	0.0006	0.0298	0.0224
Echinococcus multilocularis	neuropeptides capa receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0006	0.0298	0.0224
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0066	0.9966	1
Schistosoma mansoni	hypothetical protein	0.0006	0.0298	0.0223
Echinococcus multilocularis	serotonin receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	neuropeptide F-like receptor	0.0006	0.0298	0.0223
Loa Loa (eye worm)	G-protein coupled receptor	0.0006	0.0298	0.0329
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.5024	0.5002
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.8867	0.8889
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.5024	0.5002
Echinococcus multilocularis	fmrfamide receptor	0.0006	0.0298	0.0224
Brugia malayi	GnHR receptor homolog	0.0006	0.0298	0.0329
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.9966	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Brugia malayi	G protein-coupled receptor	0.0006	0.0298	0.0329
Schistosoma mansoni	hypothetical protein	0.0006	0.0298	0.0223
Loa Loa (eye worm)	G-protein coupled receptor	0.0006	0.0298	0.0329
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0006	0.0298	0.0223
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.6802	0.68
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0298	0.0223
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0004	0.0077	0.5
Schistosoma mansoni	amine GPCR	0.0006	0.0298	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	hypothetical protein	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0006	0.0298	0.0223
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.4393	0.6418
Echinococcus granulosus	cpg binding protein	0.0033	0.4678	0.4653
Echinococcus multilocularis	orexin receptor type 2	0.0006	0.0298	0.0224
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0006	0.0298	0.0329
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0006	0.0298	0.0223
Brugia malayi	hypothetical protein	0.0035	0.5024	0.7356
Schistosoma mansoni	histamine h1 receptor	0.0006	0.0298	0.0223
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Echinococcus multilocularis	neuropeptide receptor A26	0.0006	0.0298	0.0224
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0298	0.0223
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Echinococcus granulosus	somatostatin receptor	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Schistosoma mansoni	opsin-like receptor	0.0006	0.0298	0.0223
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0298	0.0223
Schistosoma mansoni	neuropeptide F-like receptor	0.0006	0.0298	0.0223
Schistosoma mansoni	amine GPCR	0.0006	0.0298	0.0223
Schistosoma mansoni	growth hormone secretagogue receptor	0.0006	0.0298	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0298	0.0223
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.9966	0.9966
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0006	0.0298	0.0224
Brugia malayi	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0634	0.0564
Brugia malayi	Dopamine receptor protein 1	0.0006	0.0298	0.0329
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0066	0.9966	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0634	0.0562
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0298	0.0223
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0006	0.0298	0.0223
Brugia malayi	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0006	0.0298	0.0329
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.9966	1
Echinococcus multilocularis	somatostatin receptor	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Schistosoma mansoni	hypothetical protein	0.0006	0.0298	0.0223
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0298	0.0223
Trypanosoma cruzi	cytochrome P450, putative	0.0004	0.0077	0.5
Brugia malayi	Serotonin receptor	0.0006	0.0298	0.0329
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0006	0.0298	0.0224
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0006	0.0298	0.0329
Loa Loa (eye worm)	neuropeptide F receptor	0.0006	0.0298	0.0329
Brugia malayi	G protein-coupled receptor F59B2.13	0.0006	0.0298	0.0329
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0006	0.0298	0.0224
Brugia malayi	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0006	0.0298	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0006	0.0298	0.0224
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0006	0.0298	0.0223
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0006	0.0298	0.0329
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0298	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Brugia malayi	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0066	0.9966	1
Brugia malayi	sulfakinin receptor protein	0.0006	0.0298	0.0329
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0634	0.0564
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0006	0.0298	0.0223
Brugia malayi	Melatonin receptor type 1A	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Trypanosoma cruzi	cytochrome P450, putative	0.0004	0.0077	0.5
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	G protein coupled receptor 139	0.0006	0.0298	0.0224
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.6802	0.68
Brugia malayi	larval opioid receptor	0.0006	0.0298	0.0329
Entamoeba histolytica	hypothetical protein	0.0035	0.5024	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0006	0.0298	0.0329
Trypanosoma brucei	cytochrome P450, putative	0.0004	0.0077	0.5
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0006	0.0298	0.0224
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0006	0.0298	0.0329
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.6802	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0006	0.0298	0.0223
Echinococcus multilocularis	dro:myosuppressin receptor	0.0006	0.0298	0.0224
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.5024	0.4985
Echinococcus multilocularis	neuropeptide receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Echinococcus multilocularis	neuropeptide s receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	sex peptide receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	g-protein coupled receptor	0.0006	0.0298	0.0224
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.3769	0.549
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Brugia malayi	hypothetical protein	0.0006	0.0298	0.0329
Schistosoma mansoni	amine GPCR	0.0006	0.0298	0.0223
Mycobacterium leprae	Conserved hypothetical protein	0.0004	0.0077	0.5
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Loa Loa (eye worm)	melatonin receptor type 1A	0.0006	0.0298	0.0329
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0006	0.0298	0.0224
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0006	0.0298	0.0223
Echinococcus multilocularis	g protein coupled receptor	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Brugia malayi	hypothetical protein	0.0006	0.0298	0.0329
Brugia malayi	neuropeptide F receptor	0.0006	0.0298	0.0329
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	biogenic amine 5HT receptor	0.0006	0.0298	0.0224
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Brugia malayi	Dopamine receptor	0.0006	0.0298	0.0329
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0006	0.0298	0.0224
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0298	0.0223
Brugia malayi	Cytochrome P450 family protein	0.0027	0.3769	0.549
Echinococcus granulosus	neuropeptide receptor	0.0006	0.0298	0.0224
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0006	0.0298	0.0224
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0634	0.0564
Brugia malayi	Dopamine receptor protein 2	0.0006	0.0298	0.0329
Echinococcus multilocularis	g protein coupled receptor	0.0006	0.0298	0.0224
Brugia malayi	neuropeptide F receptor	0.0006	0.0298	0.0329
Brugia malayi	CXXC zinc finger family protein	0.0031	0.4393	0.6418
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0004	0.0077	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0006	0.0298	0.0224
Brugia malayi	hypothetical protein	0.0006	0.0298	0.0329
Entamoeba histolytica	hypothetical protein	0.0035	0.5024	0.5
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0298	0.0223
Echinococcus granulosus	tm gpcr rhodopsin	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Brugia malayi	ORL1-like opioid receptor	0.0006	0.0298	0.0329
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0004	0.0077	0.5
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0298	0.0224
Echinococcus granulosus	neuropeptides capa receptor	0.0006	0.0298	0.0224
Echinococcus granulosus	allatostatin A receptor	0.0006	0.0298	0.0224
Echinococcus multilocularis	cpg binding protein	0.0033	0.4678	0.4653
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0006	0.0298	0.0223
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0006	0.0298	0.0223
Echinococcus granulosus	neuropeptides capa receptor	0.0006	0.0298	0.0224
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0006	0.0298	0.0329
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.6802	0.6777
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.9966	0.9966
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.6802	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0006	0.0298	0.0224
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.092	0.1253
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0298	0.0223
Brugia malayi	follicle stimulating hormone receptor	0.0006	0.0298	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	sex peptide receptor	0.0006	0.0298	0.0224
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0006	0.0298	0.0224
Schistosoma mansoni	opsin-like receptor	0.0006	0.0298	0.0223
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.6802	0.6777
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0006	0.0298	0.0329
Schistosoma mansoni	amine GPCR	0.0006	0.0298	0.0223
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0939	0.0872
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0006	0.0298	0.0224
Echinococcus granulosus	7tm_1 domain containing protein	0.0006	0.0298	0.0224
Echinococcus granulosus	orexin receptor type 2	0.0006	0.0298	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0298	0.0329
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0006	0.0298	0.0224
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 1 uM	Inhibition of CYP2C9	ChEMBL.	20005710
Ki (binding)	= 5 nM	Binding affinity to human CB2 receptor	ChEMBL.	20005710

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: CHEMBL596135

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1094194