TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 417.545 | Formula: C20H23N3O3S2
H donors: 0 H acceptors: 2 LogP: 3.73 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#CCO/N=C(/c1ccc(cc1)Sc1ncc(s1)[C@@]1(OC)CCO[C@H](C1)C)\C
InChi: 1S/C20H23N3O3S2/c1-14-12-20(24-3,8-10-25-14)18-13-22-19(28-18)27-17-6-4-16(5-7-17)15(2)23-26-11-9-21/h4-7,13-14H,8,10-12H2,1-3H3/b23-15+/t14-,20+/m0/s1
InChiKey: BANQHUYYVLYWBS-MLLBMZPXSA-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

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
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.001	0.0222	0.0222
Echinococcus granulosus	neuropeptide receptor A26	0.001	0.0222	0.0222
Echinococcus multilocularis	fmrfamide receptor	0.001	0.0222	0.0222
Echinococcus granulosus	g protein coupled receptor	0.001	0.0222	0.0222
Echinococcus multilocularis	G-protein coupled receptor, putative	0.001	0.0222	0.0222
Echinococcus granulosus	biogenic amine 5HT receptor	0.001	0.0222	0.0222
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0105	0.6126	0.6241
Echinococcus granulosus	thymidylate synthase	0.0105	0.6126	0.6126
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0147	0.8776	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Brugia malayi	Dopamine receptor	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	alpha-1 adrenergic receptor	0.001	0.0222	0.0226
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.001	0.0222	0.0222
Echinococcus multilocularis	serotonin receptor	0.001	0.0222	0.0222
Brugia malayi	G-protein coupled receptor	0.001	0.0222	0.0362
Echinococcus multilocularis	neuropeptide Y receptor	0.001	0.0222	0.0222
Echinococcus granulosus	dro:myosuppressin receptor	0.001	0.0222	0.0222
Echinococcus multilocularis	serotonin receptor	0.001	0.0222	0.0222
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.001	0.0222	0.0222
Schistosoma mansoni	hypothetical protein	0.001	0.0222	0.0226
Chlamydia trachomatis	dihydrofolate reductase	0.0043	0.2278	0.5
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0007	0.0053	0.0053
Echinococcus multilocularis	orexin receptor type 2	0.001	0.0222	0.0222
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Schistosoma mansoni	tyrosine kinase	0.0164	0.9816	1
Echinococcus granulosus	dihydrofolate reductase	0.0043	0.2278	0.2278
Echinococcus multilocularis	thymidylate synthase	0.0105	0.6126	0.6126
Brugia malayi	hypothetical protein	0.001	0.0222	0.0362
Brugia malayi	neuropeptide F receptor	0.001	0.0222	0.0362
Echinococcus granulosus	neuropeptide receptor	0.001	0.0222	0.0222
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.001	0.0222	0.0362
Schistosoma mansoni	neuropeptide receptor	0.001	0.0222	0.0226
Loa Loa (eye worm)	thymidylate synthase	0.0105	0.6126	1
Brugia malayi	sulfakinin receptor protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.001	0.0222	0.0362
Echinococcus granulosus	neuropeptides capa receptor	0.001	0.0222	0.0222
Echinococcus granulosus	biogenic amine 5HT receptor	0.001	0.0222	0.0222
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.0222	0.0226
Onchocerca volvulus		0.0105	0.6126	1
Brugia malayi	putative neuropeptide receptor NPR1	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.001	0.0222	0.0362
Echinococcus multilocularis	g-protein coupled receptor	0.001	0.0222	0.0222
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0222	0.0222
Echinococcus multilocularis	sex peptide receptor	0.001	0.0222	0.0222
Echinococcus granulosus	orexin receptor type 2	0.001	0.0222	0.0222
Schistosoma mansoni	growth hormone secretagogue receptor	0.001	0.0222	0.0226
Schistosoma mansoni	tyrosine kinase	0.0007	0.0053	0.0054
Brugia malayi	hypothetical protein	0.001	0.0222	0.0362
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.001	0.0222	0.0222
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0222	0.0226
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0007	0.0053	0.0053
Brugia malayi	Tachykinin-like peptides receptor 99D	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	amine GPCR	0.001	0.0222	0.0226
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Schistosoma mansoni	neuropeptide receptor	0.001	0.0222	0.0226
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0007	0.0053	0.0053
Brugia malayi	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0222	0.0226
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0007	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0222	0.0222
Loa Loa (eye worm)	G-protein coupled receptor	0.001	0.0222	0.0362
Echinococcus granulosus	serotonin receptor	0.001	0.0222	0.0222
Brugia malayi	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0222	0.0226
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.001	0.0222	0.0222
Schistosoma mansoni	amine GPCR	0.001	0.0222	0.0226
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0147	0.8776	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.001	0.0222	0.0222
Echinococcus granulosus	neuropeptide s receptor	0.001	0.0222	0.0222
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	hypothetical protein	0.001	0.0222	0.0226
Echinococcus granulosus	7TM GPCR rhodopsin	0.001	0.0222	0.0222
Brugia malayi	putative neuropeptide receptor	0.001	0.0222	0.0362
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Echinococcus multilocularis	neuropeptides capa receptor	0.001	0.0222	0.0222
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.001	0.0222	0.0222
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0222	0.0226
Echinococcus granulosus	g-protein coupled receptor	0.001	0.0222	0.0222
Schistosoma mansoni	opsin-like receptor	0.001	0.0222	0.0226
Brugia malayi	Dihydrofolate reductase	0.0043	0.2278	0.3718
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.001	0.0222	0.0226
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	dihydrofolate reductase	0.0043	0.2278	0.2321
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.0222	0.0226
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.001	0.0222	0.0362
Loa Loa (eye worm)	melatonin receptor type 1A	0.001	0.0222	0.0362
Loa Loa (eye worm)	TYRA-2 protein	0.001	0.0222	0.0362
Schistosoma mansoni	adenoreceptor	0.001	0.0222	0.0226
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Brugia malayi	ORL1-like opioid receptor	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0222	0.0222
Echinococcus multilocularis	neuropeptide receptor A26	0.001	0.0222	0.0222
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.272	0.5
Schistosoma mansoni	neuropeptide receptor	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Brugia malayi	SRC-1	0.0007	0.0053	0.0086
Brugia malayi	GnHR receptor homolog	0.001	0.0222	0.0362
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.001	0.0222	0.0362
Echinococcus granulosus	neuropeptides capa receptor	0.001	0.0222	0.0222
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0222	0.0226
Mycobacterium ulcerans	thymidylate synthase	0.0105	0.6126	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0222	0.0226
Brugia malayi	G protein-coupled receptor F59B2.13	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0222	0.0226
Brugia malayi	G-protein coupled receptor	0.001	0.0222	0.0362
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.001	0.0222	0.0222
Brugia malayi	RE15519p	0.001	0.0222	0.0362
Brugia malayi	Serotonin receptor	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0147	0.8776	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0007	0.0053	0.0053
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0222	0.0226
Schistosoma mansoni	opsin-like receptor	0.001	0.0222	0.0226
Echinococcus multilocularis	fmrfamide receptor	0.001	0.0222	0.0222
Brugia malayi	Dopamine receptor protein 1	0.001	0.0222	0.0362
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0007	0.0053	0.0054
Loa Loa (eye worm)	SRC-1	0.0007	0.0053	0.0086
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	dihydrofolate reductase	0.0043	0.2278	0.3718
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	G-protein coupled receptor	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Brugia malayi	hypothetical protein	0.005	0.272	0.4439
Brugia malayi	larval opioid receptor	0.001	0.0222	0.0362
Brugia malayi	G protein-coupled receptor	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.001	0.0222	0.0222
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0222	0.0226
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.001	0.0222	0.0362
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0222	0.0222
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0007	0.0053	0.0053
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0007	0.0053	0.0053
Echinococcus granulosus	alpha 1A adrenergic receptor	0.001	0.0222	0.0222
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.001	0.0222	0.0222
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.001	0.0222	0.0222
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0167	1	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0007	0.0053	0.0053
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0222	0.0226
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0222	0.0222
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.001	0.0222	0.0362
Brugia malayi	AKH receptor	0.001	0.0222	0.0362
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.001	0.0222	0.0226
Echinococcus granulosus	g protein coupled receptor	0.001	0.0222	0.0222
Brugia malayi	dihydrofolate reductase family protein	0.0043	0.2278	0.3718
Echinococcus multilocularis	neuropeptide FF receptor 2	0.001	0.0222	0.0222
Schistosoma mansoni	tyrosine kinase	0.0007	0.0053	0.0054
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0222	0.0222
Echinococcus multilocularis	allatostatin A receptor	0.001	0.0222	0.0222
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.001	0.0222	0.0362
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Echinococcus granulosus	somatostatin receptor	0.001	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus granulosus	c src tyrosine kinase	0.0007	0.0053	0.0053
Brugia malayi	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	neuropeptide F receptor	0.001	0.0222	0.0362
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0222	0.0226
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.001	0.0222	0.0222
Brugia malayi	Dopamine receptor protein 2	0.001	0.0222	0.0362
Echinococcus granulosus	peptide allatostatin:somatostatin	0.001	0.0222	0.0222
Schistosoma mansoni	biogenic amine receptor	0.001	0.0222	0.0226
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Echinococcus granulosus	g protein coupled receptor	0.001	0.0222	0.0222
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0007	0.0053	0.0053
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.001	0.0222	0.0362
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0007	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Brugia malayi	hypothetical protein	0.001	0.0222	0.0362
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0007	0.0053	0.0053
Echinococcus multilocularis	dro:myosuppressin receptor	0.001	0.0222	0.0222
Brugia malayi	hypothetical protein	0.001	0.0222	0.0362
Mycobacterium tuberculosis	Hypothetical protein	0.005	0.272	0.1148
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.001	0.0222	0.0362
Echinococcus granulosus	tachykinin peptides receptor 99D	0.001	0.0222	0.0222
Brugia malayi	follicle stimulating hormone receptor	0.001	0.0222	0.0362
Schistosoma mansoni	biogenic amine receptor	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus multilocularis	somatostatin receptor	0.001	0.0222	0.0222
Echinococcus granulosus	hypothetical protein	0.001	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	neuropeptide F receptor	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	histamine h1 receptor	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0105	0.6126	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.001	0.0222	0.0226
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.001	0.0222	0.0222
Echinococcus granulosus	neuropeptide Y receptor	0.001	0.0222	0.0222
Brugia malayi	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0007	0.0053	0.0053
Echinococcus multilocularis	G protein coupled receptor 139	0.001	0.0222	0.0222
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.001	0.0222	0.0222
Brugia malayi	Serotonin receptor	0.001	0.0222	0.0362
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0007	0.0053	0.0053
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0007	0.0053	0.0053
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.0222	0.0226
Echinococcus granulosus	allatostatin A receptor	0.001	0.0222	0.0222
Schistosoma mansoni	biogenic amine receptor	0.001	0.0222	0.0226
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.001	0.0222	0.0222
Schistosoma mansoni	amine GPCR	0.001	0.0222	0.0226
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0147	0.8776	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.001	0.0222	0.0222
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0222	0.0222
Schistosoma mansoni	amine GPCR	0.001	0.0222	0.0226
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.001	0.0222	0.0222
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0147	0.8776	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0105	0.6126	1
Schistosoma mansoni	amine GPCR	0.001	0.0222	0.0226
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.001	0.0222	0.0226
Echinococcus granulosus	G protein coupled receptor 139	0.001	0.0222	0.0222
Schistosoma mansoni	tyrosine kinase	0.0007	0.0053	0.0054
Schistosoma mansoni	myosin xvIII	0.001	0.0222	0.0226
Echinococcus granulosus	neuropeptide FF receptor 2	0.001	0.0222	0.0222
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0007	0.0053	0.0053
Echinococcus granulosus	fmrfamide receptor	0.001	0.0222	0.0222
Schistosoma mansoni	hypothetical protein	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus multilocularis	c src tyrosine kinase	0.0007	0.0053	0.0053
Echinococcus granulosus	neuropeptide Y receptor	0.001	0.0222	0.0222
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0007	0.0053	0.0053
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.001	0.0222	0.0226
Echinococcus multilocularis	neuropeptides capa receptor	0.001	0.0222	0.0222
Echinococcus multilocularis	dihydrofolate reductase	0.0043	0.2278	0.2278
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	neuropeptide f receptor 76f	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Brugia malayi	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.0222	0.0226
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0147	0.8776	0.5
Brugia malayi	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Brugia malayi	thymidylate synthase	0.0105	0.6126	1
Echinococcus granulosus	sex peptide receptor	0.001	0.0222	0.0222
Brugia malayi	Tyrosine-protein kinase abl-1	0.0007	0.0053	0.0086
Schistosoma mansoni	neuropeptide receptor	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.001	0.0222	0.0222
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0222	0.0226
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.001	0.0222	0.0222
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0222	0.0222
Brugia malayi	Melatonin receptor type 1A	0.001	0.0222	0.0362
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0007	0.0053	0.0053
Brugia malayi	neuropeptide F receptor	0.001	0.0222	0.0362
Echinococcus multilocularis	neuropeptide receptor	0.001	0.0222	0.0222
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.0222	0.0226
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0007	0.0053	0.0053
Echinococcus granulosus	neuropeptide receptor	0.001	0.0222	0.0222
Schistosoma mansoni	opsin-like receptor	0.001	0.0222	0.0226
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0222	0.0362
Schistosoma mansoni	tyrosine kinase	0.0007	0.0053	0.0054
Echinococcus multilocularis	neuropeptide s receptor	0.001	0.0222	0.0222
Echinococcus multilocularis	neuropeptide receptor	0.001	0.0222	0.0222
Schistosoma mansoni	hypothetical protein	0.001	0.0222	0.0226

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.3 mg kg-1	compound was tested for oral activity in the rat using zymosan-inflamed air pouch exudate at 3 hrs post dose(RAP).	ChEMBL.	No reference
IC50 (functional)	= 0.04 uM	In vitro inhibitory activity against LTB4 synthesis in A-23,187 stimulated human whole blood (HB1).	ChEMBL.	No reference
IC50 (functional)	= 0.04 uM	In vitro inhibitory activity against LTB4 synthesis in A-23,187 stimulated human whole blood (HB1).	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL276958

Bibliographic References

No literature references available for this target.

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Detailed information for compound 33140