TDR Targets

Basic information

Technical information

TDR Targets ID: 417849
Name: (3S,8'aR)-spiro[2H-benzo[f][1]benzothiole-3,3 '-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazi ne]-1',4,4',9-tetrone
MW: 354.38 | Formula: C18H14N2O4S
H donors: 1 H acceptors: 4 LogP: 0.95 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N[C@]2(CSC3=C2C(=O)c2c(C3=O)cccc2)C(=O)N2[C@@H]1CCC2
InChi: 1S/C18H14N2O4S/c21-13-9-4-1-2-5-10(9)14(22)15-12(13)18(8-25-15)17(24)20-7-3-6-11(20)16(23)19-18/h1-2,4-5,11H,3,6-8H2,(H,19,23)/t11-,18+/m1/s1
InChiKey: LHOCMBNQIGHKLZ-ZMZPIMSZSA-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

(3S,8'aR)-spiro[2H-benzo[f]benzothiophene-3,3'-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine]-1',4,4',9-tetrone
(3S,8'aR)-spiro[2H-benzo[f]benzothiophene-3,3'-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine]-1',4,4',9-diquinone
(3S,8'aR)-spiro[2H-benzo[f][1]benzothiole-3,3'-6,7,8,8a-tetrahydro-2H-pyrrolo[2,1-f]pyrazine]-1',4,4',9-tetrone
(3S,8'aR)-spiro[2H-benzo[f]benzothiophene-3,3'-6,7,8,8a-tetrahydro-2H-pyrrolo[2,1-f]pyrazine]-1',4,4',9-tetrone
(3S,8'aR)-spiro[2H-benzo[f]benzothiophene-3,3'-6,7,8,8a-tetrahydro-2H-pyrrolo[2,1-f]pyrazine]-1',4,4',9-diquinone

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	0.0025	0.0264	0.0225
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0777	1	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0025	0.0264	0.0225
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0777	1	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0025	0.0264	0.0204
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0777	1	1
Echinococcus granulosus	g protein coupled receptor	0.0025	0.0264	0.0225
Brugia malayi	G-protein coupled receptor	0.0025	0.0264	0.0204
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.1189	0.1134
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus multilocularis	neuropeptide s receptor	0.0025	0.0264	0.0225
Echinococcus granulosus	cpg binding protein	0.0031	0.0345	0.0307
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0777	1	0.5
Schistosoma mansoni	amine GPCR	0.0025	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus multilocularis	cpg binding protein	0.0031	0.0345	0.0307
Echinococcus granulosus	tm gpcr rhodopsin	0.0025	0.0264	0.0225
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.1189	0.1154
Loa Loa (eye worm)	neuropeptide F receptor	0.0025	0.0264	0.0203
Echinococcus multilocularis	neuropeptides capa receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0025	0.0264	0.0264
Schistosoma mansoni	neuropeptide f receptor 76f	0.0025	0.0264	0.0264
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0025	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0777	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0324	0.0263
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0063	0.0023
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0025	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	hypothetical protein	0.0025	0.0264	0.0264
Schistosoma mansoni	histamine h1 receptor	0.0025	0.0264	0.0264
Echinococcus granulosus	lamin	0.0058	0.0699	0.0662
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Leishmania major	eukaryotic initiation factor 4a, putative	0.0777	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0025	0.0264	0.0225
Brugia malayi	hypothetical protein	0.0025	0.0264	0.0204
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0025	0.0264	0.0264
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1189	0.1161
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0025	0.0264	0.0264
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1189	0.1161
Echinococcus granulosus	tm gpcr rhodopsin	0.0025	0.0264	0.0225
Echinococcus granulosus	biogenic amine 5HT receptor	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0295	0.0234
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0324	0.0264
Schistosoma mansoni	kinase	0.0049	0.0577	0.0577
Echinococcus granulosus	intermediate filament protein	0.0058	0.0699	0.0662
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus multilocularis	dro:myosuppressin receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.1189	0.1189
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0058	0.0699	0.064
Echinococcus granulosus	g protein coupled receptor	0.0025	0.0264	0.0225
Brugia malayi	G protein-coupled receptor F59B2.13	0.0025	0.0264	0.0204
Echinococcus granulosus	G protein coupled receptor 139	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0028	0.0309	0.0271
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0025	0.0264	0.0264
Brugia malayi	neuropeptide F receptor	0.0025	0.0264	0.0204
Echinococcus multilocularis	neuropeptide Y receptor	0.0025	0.0264	0.0225
Brugia malayi	Melatonin receptor type 1A	0.0025	0.0264	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0025	0.0264	0.0203
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0025	0.0264	0.0225
Echinococcus multilocularis	g protein coupled receptor	0.0025	0.0264	0.0225
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1189	0.1161
Echinococcus multilocularis	lamin dm0	0.0058	0.0699	0.0662
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0777	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Loa Loa (eye worm)	neuropeptide F receptor	0.0025	0.0264	0.0203
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0025	0.0264	0.0204
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0747	0.0747
Echinococcus multilocularis	neuropeptide receptor	0.0025	0.0264	0.0225
Leishmania major	eukaryotic initiation factor 4a, putative	0.0777	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Brugia malayi	hypothetical protein	0.0025	0.0264	0.0204
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0264	0.0264
Schistosoma mansoni	opsin-like receptor	0.0025	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0699	0.064
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus granulosus	7tm_1 domain containing protein	0.0025	0.0264	0.0225
Schistosoma mansoni	neuropeptide receptor	0.0025	0.0264	0.0264
Echinococcus multilocularis	g protein coupled receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	lamin	0.0058	0.0699	0.0699
Echinococcus granulosus	sex peptide receptor	0.0025	0.0264	0.0225
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus granulosus	dro:myosuppressin receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	growth hormone secretagogue receptor	0.0025	0.0264	0.0264
Echinococcus granulosus	neuropeptide s receptor	0.0025	0.0264	0.0225
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0025	0.0264	0.0203
Schistosoma mansoni	opsin-like receptor	0.0025	0.0264	0.0264
Echinococcus granulosus	neuropeptide receptor	0.0025	0.0264	0.0225
Brugia malayi	GnHR receptor homolog	0.0025	0.0264	0.0204
Brugia malayi	Dopamine receptor	0.0025	0.0264	0.0204
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0063	0.0023
Echinococcus multilocularis	neuropeptide receptor A26	0.0025	0.0264	0.0225
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0025	0.0264	0.0225
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus granulosus	biogenic amine 5HT receptor	0.0025	0.0264	0.0225
Brugia malayi	Serotonin receptor	0.0025	0.0264	0.0204
Schistosoma mansoni	hypothetical protein	0.0025	0.0264	0.0264
Brugia malayi	hypothetical protein	0.0025	0.0264	0.0204
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0025	0.0264	0.0225
Echinococcus multilocularis	somatostatin receptor	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0025	0.0264	0.0225
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0025	0.0264	0.0225
Brugia malayi	Dopamine receptor protein 1	0.0025	0.0264	0.0204
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1189	0.1161
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0025	0.0264	0.0264
Echinococcus multilocularis	G protein coupled receptor 139	0.0025	0.0264	0.0225
Echinococcus granulosus	fmrfamide receptor	0.0025	0.0264	0.0225
Echinococcus granulosus	neuropeptide Y receptor	0.0025	0.0264	0.0225
Treponema pallidum	ATP-dependent RNA helicase	0.0777	1	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0025	0.0264	0.0203
Schistosoma mansoni	hypothetical protein	0.0025	0.0264	0.0264
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0025	0.0264	0.0204
Brugia malayi	putative neuropeptide receptor NPR1	0.0025	0.0264	0.0204
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0777	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.0025	0.0264	0.0225
Echinococcus multilocularis	neuropeptides capa receptor	0.0025	0.0264	0.0225
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0025	0.0264	0.0225
Schistosoma mansoni	cpg binding protein	0.0031	0.0345	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0561	0.0531
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0025	0.0264	0.0203
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0025	0.0264	0.0264
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.1189	0.1154
Echinococcus multilocularis	serotonin receptor	0.0025	0.0264	0.0225
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0264	0.0264
Loa Loa (eye worm)	TYRA-2 protein	0.0025	0.0264	0.0203
Echinococcus multilocularis	neuropeptide Y receptor	0.0025	0.0264	0.0225
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0264	0.0264
Schistosoma mansoni	amine GPCR	0.0025	0.0264	0.0264
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0025	0.0264	0.0203
Plasmodium vivax	RNA helicase-1, putative	0.0777	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0025	0.0264	0.0204
Loa Loa (eye worm)	intermediate filament protein	0.0058	0.0699	0.064
Brugia malayi	putative neuropeptide receptor	0.0025	0.0264	0.0204
Onchocerca volvulus		0.0058	0.0699	0.0447
Echinococcus granulosus	allatostatin A receptor	0.0025	0.0264	0.0225
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1189	0.1161
Echinococcus multilocularis	orexin receptor type 2	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0264	0.0264
Echinococcus multilocularis	g protein coupled receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.004	0.004
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0025	0.0264	0.0264
Brugia malayi	AKH receptor	0.0025	0.0264	0.0204
Echinococcus granulosus	serotonin receptor	0.0025	0.0264	0.0225
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Brugia malayi	larval opioid receptor	0.0025	0.0264	0.0204
Brugia malayi	hypothetical protein	0.0025	0.0264	0.0204
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	amine GPCR	0.0025	0.0264	0.0264
Schistosoma mansoni	biogenic amine receptor	0.0025	0.0264	0.0264
Schistosoma mansoni	neuropeptide receptor	0.0025	0.0264	0.0264
Brugia malayi	hypothetical protein	0.0025	0.0264	0.0204
Echinococcus granulosus	neuropeptide receptor	0.0025	0.0264	0.0225
Echinococcus granulosus	hypothetical protein	0.0025	0.0264	0.0225
Echinococcus granulosus	neuropeptide receptor A26	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Brugia malayi	hypothetical protein	0.0025	0.0264	0.0204
Echinococcus multilocularis	musashi	0.0058	0.0699	0.0662
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0777	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1189	0.1161
Echinococcus granulosus	7TM GPCR rhodopsin	0.0025	0.0264	0.0225
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0025	0.0264	0.0264
Brugia malayi	hypothetical protein	0.0025	0.0264	0.0204
Echinococcus multilocularis	fmrfamide receptor	0.0025	0.0264	0.0225
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0025	0.0264	0.0204
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0264	0.0264
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0295	0.0234
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0309	0.0248
Echinococcus multilocularis	neuropeptide receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	lamin	0.0058	0.0699	0.0699
Brugia malayi	follicle stimulating hormone receptor	0.0025	0.0264	0.0204
Schistosoma mansoni	amine GPCR	0.0025	0.0264	0.0264
Echinococcus granulosus	orexin receptor type 2	0.0025	0.0264	0.0225
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0777	1	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0031	0.0349	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0025	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus granulosus	neuropeptide Y receptor	0.0025	0.0264	0.0225
Brugia malayi	hypothetical protein	0.0025	0.0264	0.0204
Brugia malayi	neuropeptide F receptor	0.0025	0.0264	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0777	1	1
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0777	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0025	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	biogenic amine receptor	0.0025	0.0264	0.0264
Echinococcus multilocularis	allatostatin A receptor	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	neuropeptide F-like receptor	0.0025	0.0264	0.0264
Schistosoma mansoni	hypothetical protein	0.0025	0.0264	0.0264
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0025	0.0264	0.0264
Brugia malayi	Dopamine receptor protein 2	0.0025	0.0264	0.0204
Brugia malayi	RE15519p	0.0025	0.0264	0.0204
Brugia malayi	Intermediate filament tail domain containing protein	0.0058	0.0699	0.0642
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0264	0.0264
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0025	0.0264	0.0225
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0264	0.0264
Echinococcus multilocularis	sex peptide receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	intermediate filament proteins	0.0058	0.0699	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0777	1	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0264	0.0264
Echinococcus granulosus	tm gpcr rhodopsin	0.0025	0.0264	0.0225
Echinococcus granulosus	somatostatin receptor	0.0025	0.0264	0.0225
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0028	0.0309	0.0271
Brugia malayi	Serotonin receptor	0.0025	0.0264	0.0204
Schistosoma mansoni	neuropeptide F-like receptor	0.0025	0.0264	0.0264
Loa Loa (eye worm)	melatonin receptor type 1A	0.0025	0.0264	0.0203
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0777	1	1
Echinococcus multilocularis	lamin	0.0058	0.0699	0.0662
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0777	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Brugia malayi	hypothetical protein	0.0025	0.0264	0.0204
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Brugia malayi	G protein-coupled receptor	0.0025	0.0264	0.0204
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0777	1	1
Schistosoma mansoni	neuropeptide receptor	0.0025	0.0264	0.0264
Brugia malayi	G-protein coupled receptor	0.0025	0.0264	0.0204
Schistosoma mansoni	neuropeptide receptor	0.0025	0.0264	0.0264
Echinococcus multilocularis	fmrfamide receptor	0.0025	0.0264	0.0225
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0777	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0025	0.0264	0.0225
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0561	0.0531
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0685	0.0626
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0025	0.0264	0.0264
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Echinococcus multilocularis	g-protein coupled receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0025	0.0264	0.0264
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0777	1	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0025	0.0264	0.0225
Echinococcus granulosus	lamin dm0	0.0058	0.0699	0.0662
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0025	0.0264	0.0203
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	cpg binding protein	0.0031	0.0345	0.0345
Schistosoma mansoni	amine GPCR	0.0025	0.0264	0.0264
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	biogenic amine receptor	0.0025	0.0264	0.0264
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0025	0.0264	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	opsin-like receptor	0.0025	0.0264	0.0264
Brugia malayi	ORL1-like opioid receptor	0.0025	0.0264	0.0204
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0025	0.0264	0.0264
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0096	0.1189	0.095
Brugia malayi	intermediate filament protein	0.0058	0.0699	0.0642
Echinococcus granulosus	g protein coupled receptor	0.0025	0.0264	0.0225
Echinococcus granulosus	g-protein coupled receptor	0.0025	0.0264	0.0225
Brugia malayi	sulfakinin receptor protein	0.0025	0.0264	0.0204
Schistosoma mansoni	myosin xvIII	0.0025	0.0264	0.0264
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0777	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1189	0.1161
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0264	0.0225
Brugia malayi	cytoplasmic intermediate filament protein	0.0031	0.0349	0.029
Echinococcus granulosus	neuropeptide FF receptor 2	0.0025	0.0264	0.0225
Schistosoma mansoni	adenoreceptor	0.0025	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0025	0.0264	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Loa Loa (eye worm)	G-protein coupled receptor	0.0025	0.0264	0.0203
Echinococcus multilocularis	serotonin receptor	0.0025	0.0264	0.0225
Schistosoma mansoni	cpg binding protein	0.0029	0.0324	0.0324
Brugia malayi	hypothetical protein	0.0025	0.0264	0.0204
Onchocerca volvulus		0.0058	0.0699	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0777	1	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.1189	0.1133
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0264	0.0203
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0264	0.0264
Onchocerca volvulus		0.0029	0.0324	0.0061

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Inhibition of topoisomerase 2 mediated DNA relaxation at 25 to 50 uM	ChEMBL.	17375902
Activity (binding)	0	Inhibition of topoisomerase 2 mediated DNA relaxation at 25 to 50 uM	ChEMBL.	17375902
IC50 (ADMET)	= 0.01 uM	Cytotoxicity against human SW620 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.01 uM	Cytotoxicity against human SW620 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.017 uM	Cytotoxicity against human MCF7 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.017 uM	Cytotoxicity against human MCF7 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.036 uM	Cytotoxicity against human A2780 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.036 uM	Cytotoxicity against human A2780 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.041 uM	Cytotoxicity against doxorubicin-resistant human MCF7 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.041 uM	Cytotoxicity against doxorubicin-resistant human MCF7 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.052 uM	Cytotoxicity against human NCI-H460 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.052 uM	Cytotoxicity against human NCI-H460 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.11 uM	Cytotoxicity against human PC3 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.11 uM	Cytotoxicity against human PC3 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.15 uM	Cytotoxicity against human MeVo cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.15 uM	Cytotoxicity against doxorubicin-resistant human A2780 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.15 uM	Cytotoxicity against doxorubicin-resistant human A2780 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.24 uM	Cytotoxicity against human HCT116 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.24 uM	Cytotoxicity against human HCT116 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.32 uM	Cytotoxicity against human LoVo cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.32 uM	Cytotoxicity against human LoVo cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.42 uM	Cytotoxicity against cisplatin-resistant human A2780 cells	ChEMBL.	17375902
IC50 (ADMET)	= 0.42 uM	Cytotoxicity against cisplatin-resistant human A2780 cells	ChEMBL.	17375902
Ratio IC50 (ADMET)	= 2.4	Resistance index, IC50 for doxorubicin-resistant human MCF7 cells/IC50 for doxorubicin-sensitive human MCF7 cells	ChEMBL.	17375902
Ratio IC50 (ADMET)	= 5.8	Resistance index, IC50 for doxorubicin-resistant human A2780 cells/IC50 for doxorubicin- sensitive human A2780 cells	ChEMBL.	17375902
Ratio IC50 (ADMET)	= 10	Resistance index, IC50 for cisplatin-resistant human A2780 cells/IC50 for cisplatin-sensitive human A2780 cells	ChEMBL.	17375902

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17375902

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: CHEMBL223730
PubChem: 16204301

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 417849