TDR Targets

Basic information

Technical information

TDR Targets ID: 154002
Name: 3-acetylbenzo[f][1]benzothiole-4,9-dione
MW: 256.277 | Formula: C14H8O3S
H donors: 0 H acceptors: 3 LogP: 2.57 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1c2ccccc2C(=O)c2c1c(cs2)C(=O)C
InChi: 1S/C14H8O3S/c1-7(15)10-6-18-14-11(10)12(16)8-4-2-3-5-9(8)13(14)17/h2-6H,1H3
InChiKey: OGTQKTFODXNYJH-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

3-acetylbenzo[f]benzothiophene-4,9-dione
3-ethanoylbenzo[f][1]benzothiole-4,9-dione
3-acetylbenzo[f]benzothiophene-4,9-quinone
NSC694072
Naphtho[2,3-b]thiophene-4,9-dione, 3-acetyl-
Neuro_000470
NCI60_033645

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	expressed protein	0.0024	0.0066	0.0654
Echinococcus granulosus	g-protein coupled receptor	0.001	0.0022	0.0167
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0007	0.0074
Echinococcus granulosus	peptide allatostatin:somatostatin	0.001	0.0022	0.0167
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0024	0.0064	1
Schistosoma mansoni	hypothetical protein	0.0298	0.0916	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0014	0.0033	0.5
Mycobacterium tuberculosis	3-dehydroquinate synthase AroB	0.0125	0.0379	0.0707
Brugia malayi	sulfakinin receptor protein	0.001	0.0022	0.0108
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0022	0.0241
Brugia malayi	ORL1-like opioid receptor	0.001	0.0022	0.0108
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Mycobacterium leprae	Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase).	0.1589	0.4926	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0024	0.0064	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Brugia malayi	hypothetical protein	0.001	0.0022	0.0108
Echinococcus granulosus	somatostatin receptor	0.001	0.0022	0.0167
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0022	0.0167
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.001	0.0022	0.0241
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0022	0.0167
Toxoplasma gondii	chorismate synthase, putative	0.3222	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Mycobacterium leprae	probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS	0.0321	0.0989	0.1341
Echinococcus granulosus	neuropeptide Y receptor	0.001	0.0022	0.0167
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0014	0.0033	0.0269
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	G-protein coupled receptor, putative	0.001	0.0022	0.0167
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Echinococcus multilocularis	dnaJ subfamily B	0.0298	0.0916	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.001	0.0022	0.0241
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.001	0.0022	0.0167
Echinococcus granulosus	dro:myosuppressin receptor	0.001	0.0022	0.0167
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.0349	0.1074	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.001	0.0022	0.0167
Brugia malayi	hypothetical protein	0.001	0.0022	0.0108
Schistosoma mansoni	hypothetical protein	0.001	0.0022	0.0241
Echinococcus multilocularis	g-protein coupled receptor	0.001	0.0022	0.0167
Schistosoma mansoni	biogenic amine receptor	0.001	0.0022	0.0241
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Trichomonas vaginalis	ap endonuclease, putative	0.0014	0.0033	0.4573
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0022	0.0241
Loa Loa (eye worm)	neuropeptide F receptor	0.001	0.0022	0.0135
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0014	0.0033	0.029
Echinococcus multilocularis	neuropeptide receptor	0.001	0.0022	0.0167
Brugia malayi	Melatonin receptor type 1A	0.001	0.0022	0.0108
Brugia malayi	CXXC zinc finger family protein	0.0021	0.0056	0.0424
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Echinococcus granulosus	neuropeptide Y receptor	0.001	0.0022	0.0167
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0044	0.0128	0.1403
Echinococcus multilocularis	G protein coupled receptor 139	0.001	0.0022	0.0167
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0024	0.0066	0.0665
Schistosoma mansoni	cpg binding protein	0.0022	0.0059	0.0648
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.0022	0.0241
Schistosoma mansoni	opsin-like receptor	0.001	0.0022	0.0241
Loa Loa (eye worm)	G-protein coupled receptor	0.001	0.0022	0.0135
Echinococcus granulosus	tachykinin peptides receptor 99D	0.001	0.0022	0.0167
Echinococcus multilocularis	dro:myosuppressin receptor	0.001	0.0022	0.0167
Brugia malayi	Dopamine receptor	0.001	0.0022	0.0108
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0022	0.0241
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.0022	0.0241
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Mycobacterium ulcerans	3-dehydroquinate synthase	0.0125	0.0379	0.0347
Echinococcus granulosus	neuropeptide receptor	0.001	0.0022	0.0167
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0014	0.0033	0.3852
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0014	0.0033	0.029
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0449	0.5261
Brugia malayi	hypothetical protein	0.001	0.0022	0.0108
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Schistosoma mansoni	neuropeptide receptor	0.001	0.0022	0.0241
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.001	0.0022	0.0108
Toxoplasma gondii	shikimate dehydrogenase substrate binding domain-containing protein	0.0321	0.0989	0.0977
Toxoplasma gondii	histone lysine methyltransferase SET1	0.004	0.0114	0.01
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0022	0.0167
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0022	0.0241
Echinococcus multilocularis	neuropeptide receptor	0.001	0.0022	0.0167
Schistosoma mansoni	amine GPCR	0.001	0.0022	0.0241
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.0127	0.0386	0.4214
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0024	0.0066	0.0524
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Chlamydia trachomatis	phosphoshikimate 1-carboxyl vinyltransferase	0.0321	0.0989	0.0634
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0022	0.0167
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0022	0.0241
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.001	0.0022	0.0108
Mycobacterium tuberculosis	Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase)	0.1589	0.4926	1
Schistosoma mansoni	neuropeptide receptor	0.001	0.0022	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0275	0.0844	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0014	0.0033	0.3852
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.001	0.0022	0.0167
Schistosoma mansoni	growth hormone secretagogue receptor	0.001	0.0022	0.0241
Schistosoma mansoni	hypothetical protein	0.001	0.0022	0.0241
Schistosoma mansoni	ap endonuclease	0.0014	0.0033	0.0363
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0066	1
Brugia malayi	Dopamine receptor protein 2	0.001	0.0022	0.0108
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Brugia malayi	hypothetical protein	0.001	0.0022	0.0108
Brugia malayi	GnHR receptor homolog	0.001	0.0022	0.0108
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0022	0.0241
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.001	0.0022	0.0167
Brugia malayi	putative neuropeptide receptor NPR1	0.001	0.0022	0.0108
Schistosoma mansoni	3-dehydroquinate synthase	0.0125	0.0379	0.4143
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Schistosoma mansoni	amine GPCR	0.001	0.0022	0.0241
Brugia malayi	Dopamine receptor protein 1	0.001	0.0022	0.0108
Brugia malayi	larval opioid receptor	0.001	0.0022	0.0108
Schistosoma mansoni	biogenic amine receptor	0.001	0.0022	0.0241
Brugia malayi	neuropeptide F receptor	0.001	0.0022	0.0108
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0014	0.0033	0.3852
Echinococcus granulosus	orexin receptor type 2	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Brugia malayi	hypothetical protein	0.001	0.0022	0.0108
Chlamydia trachomatis	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0196	0.06	0.023
Echinococcus granulosus	neuropeptide receptor A26	0.001	0.0022	0.0167
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0024	0.0064	1
Schistosoma mansoni	hypothetical protein	0.001	0.0022	0.0241
Echinococcus granulosus	allatostatin A receptor	0.001	0.0022	0.0167
Mycobacterium tuberculosis	3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS)	0.0125	0.0379	0.0707
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Schistosoma mansoni	amine GPCR	0.001	0.0022	0.0241
Brugia malayi	follicle stimulating hormone receptor	0.001	0.0022	0.0108
Brugia malayi	RE15519p	0.001	0.0022	0.0108
Mycobacterium ulcerans	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0196	0.06	0.0569
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0022	0.0167
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus granulosus	7TM GPCR rhodopsin	0.001	0.0022	0.0167
Echinococcus granulosus	G protein coupled receptor 139	0.001	0.0022	0.0167
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Schistosoma mansoni	amine GPCR	0.001	0.0022	0.0241
Echinococcus multilocularis	neuropeptide s receptor	0.001	0.0022	0.0167
Echinococcus granulosus	dnaJ subfamily B	0.0298	0.0916	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.001	0.0022	0.0241
Echinococcus granulosus	alpha 1A adrenergic receptor	0.001	0.0022	0.0167
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.001	0.0022	0.0108
Brugia malayi	hypothetical protein	0.001	0.0022	0.0108
Brugia malayi	Serotonin receptor	0.001	0.0022	0.0108
Echinococcus granulosus	g protein coupled receptor	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Brugia malayi	AKH receptor	0.001	0.0022	0.0108
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.001	0.0022	0.0167
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.001	0.0022	0.0167
Schistosoma mansoni	cpg binding protein	0.0022	0.0059	0.0648
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus granulosus	g protein coupled receptor	0.001	0.0022	0.0167
Echinococcus granulosus	expressed protein	0.0024	0.0066	0.0654
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Echinococcus multilocularis	serotonin receptor	0.001	0.0022	0.0167
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0022	0.0241
Brugia malayi	hypothetical protein	0.001	0.0022	0.0108
Schistosoma mansoni	neuropeptide f receptor 76f	0.001	0.0022	0.0241
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0022	0.0241
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	allatostatin A receptor	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0006	0.0011	0.0044
Schistosoma mansoni	biogenic amine receptor	0.001	0.0022	0.0241
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.0022	0.0241
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Brugia malayi	hypothetical protein	0.001	0.0022	0.0108
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Schistosoma mansoni	opsin-like receptor	0.001	0.0022	0.0241
Echinococcus granulosus	cpg binding protein	0.0022	0.0059	0.0578
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0024	0.0064	1
Echinococcus granulosus	hypothetical protein	0.001	0.0022	0.0167
Mycobacterium ulcerans	chorismate synthase	0.3222	1	1
Plasmodium vivax	chorismate synthase	0.3222	1	1
Echinococcus multilocularis	fmrfamide receptor	0.001	0.0022	0.0167
Trichomonas vaginalis	ap endonuclease, putative	0.0014	0.0033	0.4573
Brugia malayi	Tachykinin-like peptides receptor 99D	0.001	0.0022	0.0108
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Loa Loa (eye worm)	G-protein coupled receptor	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Brugia malayi	G protein-coupled receptor	0.001	0.0022	0.0108
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0022	0.0241
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0021	0.0056	0.0538
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.001	0.0022	0.0108
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Echinococcus multilocularis	fmrfamide receptor	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Plasmodium falciparum	chorismate synthase	0.3222	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.001	0.0022	0.0167
Schistosoma mansoni	rotamase	0.0024	0.0066	0.0723
Echinococcus granulosus	7tm_1 domain containing protein	0.001	0.0022	0.0167
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0022	0.0241
Echinococcus granulosus	neuropeptides capa receptor	0.001	0.0022	0.0167
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0006	0.0011	0.0044
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	neuropeptide Y receptor	0.001	0.0022	0.0167
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.001	0.0022	0.0167
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	neuropeptides capa receptor	0.001	0.0022	0.0167
Brugia malayi	neuropeptide F receptor	0.001	0.0022	0.0108
Mycobacterium ulcerans	3-phosphoshikimate 1-carboxyvinyltransferase	0.0321	0.0989	0.0959
Schistosoma mansoni	opsin-like receptor	0.001	0.0022	0.0241
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.0022	0.0241
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.001	0.0022	0.0167
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0022	0.0167
Brugia malayi	G protein-coupled receptor F59B2.13	0.001	0.0022	0.0108
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0022	0.0167
Echinococcus granulosus	sex peptide receptor	0.001	0.0022	0.0167
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0022	0.0167
Loa Loa (eye worm)	neuropeptide F receptor	0.001	0.0022	0.0135
Schistosoma mansoni	neuropeptide receptor	0.001	0.0022	0.0241
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0022	0.0241
Trichomonas vaginalis	rotamase, putative	0.0024	0.0066	1
Echinococcus granulosus	neuropeptide receptor	0.001	0.0022	0.0167
Echinococcus granulosus	biogenic amine 5HT receptor	0.001	0.0022	0.0167
Schistosoma mansoni	neuropeptide receptor	0.001	0.0022	0.0241
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Schistosoma mansoni	amine GPCR	0.001	0.0022	0.0241
Brugia malayi	G-protein coupled receptor	0.001	0.0022	0.0108
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Brugia malayi	Serotonin receptor	0.001	0.0022	0.0108
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.0022	0.0241
Echinococcus granulosus	biogenic amine 5HT receptor	0.001	0.0022	0.0167
Echinococcus multilocularis	sex peptide receptor	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.001	0.0022	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0074	0.022	0.2506
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.0022	0.0241
Brugia malayi	exodeoxyribonuclease III family protein	0.0014	0.0033	0.0213
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0196	0.06	1
Echinococcus multilocularis	neuropeptide Y receptor	0.001	0.0022	0.0167
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.001	0.0022	0.0167
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0014	0.0033	0.0333
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.001	0.0022	0.0167
Loa Loa (eye worm)	TYRA-2 protein	0.001	0.0022	0.0135
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0014	0.0033	0.3852
Brugia malayi	G-protein coupled receptor	0.001	0.0022	0.0108
Brugia malayi	putative neuropeptide receptor	0.001	0.0022	0.0108
Echinococcus multilocularis	neuropeptide FF receptor 2	0.001	0.0022	0.0167
Echinococcus multilocularis	cpg binding protein	0.0022	0.0059	0.0578
Echinococcus multilocularis	somatostatin receptor	0.001	0.0022	0.0167
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.001	0.0022	0.0241
Echinococcus granulosus	neuropeptide s receptor	0.001	0.0022	0.0167
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.001	0.0022	0.0167
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.001	0.0022	0.0108
Brugia malayi	hypothetical protein	0.001	0.0022	0.0108
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Trichomonas vaginalis	rotamase, putative	0.0024	0.0064	0.9707
Treponema pallidum	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0196	0.06	1
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0022	0.0167
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0024	0.0064	1
Echinococcus granulosus	g protein coupled receptor	0.001	0.0022	0.0167
Echinococcus multilocularis	orexin receptor type 2	0.001	0.0022	0.0167
Schistosoma mansoni	hypothetical protein	0.001	0.0022	0.0241
Echinococcus granulosus	neuropeptide FF receptor 2	0.001	0.0022	0.0167
Schistosoma mansoni	ap endonuclease	0.0014	0.0033	0.0363
Schistosoma mansoni	histamine h1 receptor	0.001	0.0022	0.0241
Schistosoma mansoni	cpg binding protein	0.0021	0.0056	0.0608
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	neuropeptide receptor A26	0.001	0.0022	0.0167
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0022	0.0241
Loa Loa (eye worm)	melatonin receptor type 1A	0.001	0.0022	0.0135
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.001	0.0022	0.0241
Schistosoma mansoni	alpha-1 adrenergic receptor	0.001	0.0022	0.0241
Echinococcus granulosus	fmrfamide receptor	0.001	0.0022	0.0167
Schistosoma mansoni	adenoreceptor	0.001	0.0022	0.0241
Echinococcus granulosus	neuropeptides capa receptor	0.001	0.0022	0.0167
Echinococcus granulosus	serotonin receptor	0.001	0.0022	0.0167
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.001	0.0022	0.0241
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Toxoplasma gondii	peptidylprolyl isomerase	0.0024	0.0064	0.0051
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0022	0.0167
Brugia malayi	hypothetical protein	0.001	0.0022	0.0108
Toxoplasma gondii	exonuclease III APE	0.0014	0.0033	0.002
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.001	0.0022	0.0167
Schistosoma mansoni	myosin xvIII	0.001	0.0022	0.0241
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.001	0.0022	0.0241
Echinococcus multilocularis	neuropeptides capa receptor	0.001	0.0022	0.0167
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0135
Onchocerca volvulus		0.0021	0.0056	1
Echinococcus multilocularis	serotonin receptor	0.001	0.0022	0.0167

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 5 uM	Effective cytotoxic dose of the compound against KB cells was evaluated	ChEMBL.	9873618
ED50 (functional)	= 5 uM	Effective cytotoxic dose of the compound against KB cells was evaluated	ChEMBL.	9873618
GI50 (functional)	< -8	Compound was evaluated for cytotoxicity against MOLT-4 leukemia cell line	ChEMBL.	9873618
GI50 (functional)	= -6.77	Compound was evaluated for cytotoxicity against SK-MEL-5 melanoma cell line	ChEMBL.	9873618
GI50 (functional)	-6.537	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	= -6.49	Compound was evaluated for cytotoxicity against MDA-MB-435 breast cancer cell line	ChEMBL.	9873618
GI50 (functional)	-6.316	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	= -6.03	Compound was evaluated for cytotoxicity against MDA-N breast cancer cell line	ChEMBL.	9873618
GI50 (functional)	= -5.98	Compound was evaluated for cytotoxicity against NCI-H23 non small cell lung cancer cell line	ChEMBL.	9873618
GI50 (functional)	-5.913	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.899	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	= -5.88	Compound was evaluated for cytotoxicity against NCI-H460 non small cell lung cancer cell line	ChEMBL.	9873618
GI50 (functional)	= -5.81	Compound was evaluated for cytotoxicity against CCRF-CEM leukemia cell line	ChEMBL.	9873618
GI50 (functional)	-5.777	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	= -5.76	Compound was evaluated for cytotoxicity against NCI-H552 non small cell lung cancer cell line	ChEMBL.	9873618
GI50 (functional)	= -5.75	Compound was evaluated for cytotoxicity against SNB-19 CNS cancer cell line	ChEMBL.	9873618
GI50 (functional)	-5.695	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	= -5.69	Compound was evaluated for cytotoxicity against SF-539 CNS cancer cell line	ChEMBL.	9873618
GI50 (functional)	-5.682	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	= -5.68	Compound was evaluated for cytotoxicity against MCF-7 breast cancer cell lines	ChEMBL.	9873618
GI50 (functional)	= -5.66	Compound was evaluated for cytotoxicity against SW-620 colon cancer cell line	ChEMBL.	9873618
GI50 (functional)	-5.647	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	= -5.63	Compound was evaluated for cytotoxicity against LOX IMVI melanoma cell line	ChEMBL.	9873618
GI50 (functional)	= -5.61	Compound was evaluated for cytotoxicity against IGROV1 Ovarian cancer cell line	ChEMBL.	9873618
GI50 (functional)	-5.579	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	= -5.54	Compound was evaluated for cytotoxicity against MCF 7/ADR-RES breast cancer cell line	ChEMBL.	9873618
GI50 (functional)	= -5.45	Compound was evaluated for cytotoxicity against OVCAR-3 Ovarian cancer cell line	ChEMBL.	9873618
GI50 (functional)	= -4.76	Compound was evaluated for cytotoxicity against HCT-15 colon cancer cell line	ChEMBL.	9873618
GI50 (functional)	-4.516	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Log GI50 (functional)	< -8 M	Compound was evaluated for cytotoxicity against MOLT-4 leukemia cell line	ChEMBL.	9873618
Log GI50 (functional)	= -6.77 M	Compound was evaluated for cytotoxicity against SK-MEL-5 melanoma cell line	ChEMBL.	9873618
Log GI50 (functional)	= -6.49 M	Compound was evaluated for cytotoxicity against MDA-MB-435 breast cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -6.03 M	Compound was evaluated for cytotoxicity against MDA-N breast cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.98 M	Compound was evaluated for cytotoxicity against NCI-H23 non small cell lung cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.88 M	Compound was evaluated for cytotoxicity against NCI-H460 non small cell lung cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.81 M	Compound was evaluated for cytotoxicity against CCRF-CEM leukemia cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.76 M	Compound was evaluated for cytotoxicity against NCI-H552 non small cell lung cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.75 M	Compound was evaluated for cytotoxicity against SNB-19 CNS cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.69 M	Compound was evaluated for cytotoxicity against SF-539 CNS cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.68 M	Compound was evaluated for cytotoxicity against MCF-7 breast cancer cell lines	ChEMBL.	9873618
Log GI50 (functional)	= -5.66 M	Compound was evaluated for cytotoxicity against SW-620 colon cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.63 M	Compound was evaluated for cytotoxicity against LOX IMVI melanoma cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.61 M	Compound was evaluated for cytotoxicity against IGROV1 Ovarian cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.54 M	Compound was evaluated for cytotoxicity against MCF 7/ADR-RES breast cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -5.45 M	Compound was evaluated for cytotoxicity against OVCAR-3 Ovarian cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	= -4.76 M	Compound was evaluated for cytotoxicity against HCT-15 colon cancer cell line	ChEMBL.	9873618
Log GI50 (functional)	0 M	Compound was evaluated for cytotoxicity against SR leukemia cell line; ND=No data	ChEMBL.	9873618

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

PubChem: 392894

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 154002