TDR Targets

Basic information

Technical information

TDR Targets ID: 1456771
Name: [(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-17- (phenylmethyl)-7,8,9,11,12,14,15,16-octahydro -6H-cyclopenta[a]phenanthren-3-yl] sulfamate
MW: 441.583 | Formula: C25H31NO4S
H donors: 2 H acceptors: 3 LogP: 4.9 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NS(=O)(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]2(O)Cc1ccccc1)C
InChi: 1S/C25H31NO4S/c1-24-13-11-21-20-10-8-19(30-31(26,28)29)15-18(20)7-9-22(21)23(24)12-14-25(24,27)16-17-5-3-2-4-6-17/h2-6,8,10,15,21-23,27H,7,9,11-14,16H2,1H3,(H2,26,28,29)/t21-,22-,23+,24+,25-/m1/s1
InChiKey: WKHRJYRDYDDUFZ-WJGLBBAVSA-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

sulfamic acid [(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-17-(phenylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
sulfamic acid [(8R,9S,13S,14S,17R)-17-(benzyl)-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	steroid sulfatase (microsomal), isozyme S	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	hypothetical protein	Get druggable targets OG5_130476	All targets in OG5_130476

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium ulcerans	arylsulfatase AtsB	steroid sulfatase (microsomal), isozyme S	583 aa	470 aa	23.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0025	0.028	0.0262
Echinococcus granulosus	somatostatin receptor	0.0045	0.07	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0693	0.989
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0045	0.07	1
Schistosoma mansoni	neuropeptide receptor	0.0045	0.07	1
Echinococcus multilocularis	sex peptide receptor	0.0045	0.07	1
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0044	0.0691	0.091
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0693	0.989
Onchocerca volvulus		0.0495	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.07	1
Schistosoma mansoni	neuropeptide receptor	0.0045	0.07	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0045	0.07	0.0684
Brugia malayi	G-protein coupled receptor	0.0045	0.07	0.0684
Brugia malayi	hypothetical protein	0.0016	0.01	0.0082
Echinococcus granulosus	ornithine aminotransferase	0.0044	0.0691	0.9863
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0045	0.07	1
Schistosoma mansoni	biogenic amine receptor	0.0045	0.07	1
Loa Loa (eye worm)	TYRA-2 protein	0.0045	0.07	0.0684
Echinococcus multilocularis	serotonin receptor	0.0045	0.07	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0045	0.07	1
Brugia malayi	Melatonin receptor type 1A	0.0045	0.07	0.0684
Brugia malayi	G protein-coupled receptor F59B2.13	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0041	0.062	0.0603
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0041	0.062	0.0603
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Schistosoma mansoni	biogenic amine receptor	0.0045	0.07	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0045	0.07	1
Echinococcus granulosus	neuropeptide s receptor	0.0045	0.07	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.0018	0.0258
Echinococcus granulosus	tm gpcr rhodopsin	0.0045	0.07	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0045	0.07	1
Echinococcus multilocularis	ornithine aminotransferase	0.0044	0.0691	0.9863
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.07	1
Plasmodium falciparum	ornithine aminotransferase	0.0044	0.0691	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0044	0.0691	0.0674
Schistosoma mansoni	amine GPCR	0.0045	0.07	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0045	0.07	1
Brugia malayi	putative neuropeptide receptor	0.0045	0.07	0.0684
Brugia malayi	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	cytochrome P450 family protein	0.0018	0.0136	0.0119
Schistosoma mansoni	growth hormone secretagogue receptor	0.0045	0.07	1
Brugia malayi	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	hypothetical protein	0.0045	0.07	0.0684
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0045	0.07	1
Echinococcus multilocularis	neuropeptide receptor	0.0045	0.07	1
Brugia malayi	hypothetical protein	0.0045	0.07	0.0684
Echinococcus multilocularis	g-protein coupled receptor	0.0045	0.07	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0045	0.07	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0045	0.07	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0045	0.07	0.0684
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0045	0.07	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0044	0.0691	0.5
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0312	0.6232	1
Brugia malayi	hypothetical protein	0.0347	0.6952	0.6947
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0045	0.07	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0045	0.07	1
Schistosoma mansoni	hypothetical protein	0.0045	0.07	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0045	0.07	1
Echinococcus granulosus	G protein coupled receptor 139	0.0045	0.07	1
Brugia malayi	Serotonin receptor	0.0045	0.07	0.0684
Echinococcus granulosus	g-protein coupled receptor	0.0045	0.07	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.0045	0.07	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0045	0.07	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0045	0.07	1
Echinococcus granulosus	g protein coupled receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus granulosus	Aminotransferase class III	0.0044	0.0691	0.9863
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.0698	0.996
Loa Loa (eye worm)	G-protein coupled receptor	0.0045	0.07	0.0684
Echinococcus multilocularis	fmrfamide receptor	0.0045	0.07	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0041	0.062	0.8849
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0044	0.0691	0.091
Echinococcus granulosus	biogenic amine 5HT receptor	0.0045	0.07	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.07	1
Schistosoma mansoni	opsin-like receptor	0.0045	0.07	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0045	0.07	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.07	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0045	0.07	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0045	0.07	1
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.0018	0.0258
Echinococcus multilocularis	G protein coupled receptor 139	0.0045	0.07	1
Brugia malayi	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0045	0.07	0.0684
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0045	0.07	1
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0018	0.0258
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0044	0.0691	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0045	0.07	1
Schistosoma mansoni	neuropeptide receptor	0.0045	0.07	1
Echinococcus multilocularis	orexin receptor type 2	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.07	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.07	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.0018	0.0258
Brugia malayi	hypothetical protein	0.0045	0.07	0.0684
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.07	1
Brugia malayi	GnHR receptor homolog	0.0045	0.07	0.0684
Schistosoma mansoni	neuropeptide F-like receptor	0.0045	0.07	1
Echinococcus granulosus	allatostatin A receptor	0.0045	0.07	1
Echinococcus multilocularis	fmrfamide receptor	0.0045	0.07	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0045	0.07	1
Brugia malayi	neuropeptide F receptor	0.0045	0.07	0.0684
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0044	0.0691	0.9863
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.07	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0045	0.07	1
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0044	0.0691	0.091
Brugia malayi	Dopamine receptor protein 1	0.0045	0.07	0.0684
Echinococcus multilocularis	g protein coupled receptor	0.0045	0.07	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0045	0.07	0.0684
Echinococcus granulosus	neuropeptides capa receptor	0.0045	0.07	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0045	0.07	1
Brugia malayi	follicle stimulating hormone receptor	0.0045	0.07	0.0684
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0044	0.0691	0.5
Schistosoma mansoni	amine GPCR	0.0045	0.07	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0045	0.07	1
Schistosoma mansoni	amine GPCR	0.0045	0.07	1
Brugia malayi	hypothetical protein	0.0025	0.028	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	neuropeptide F receptor	0.0045	0.07	0.0684
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Schistosoma mansoni	amine GPCR	0.0045	0.07	1
Brugia malayi	AKH receptor	0.0045	0.07	0.0684
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0045	0.07	0.0684
Echinococcus granulosus	g protein coupled receptor	0.0045	0.07	1
Schistosoma mansoni	opsin-like receptor	0.0045	0.07	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0693	0.989
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.07	1
Echinococcus granulosus	neuropeptides capa receptor	0.0045	0.07	1
Brugia malayi	RE15519p	0.0045	0.07	0.0684
Loa Loa (eye worm)	CYP4Cod1	0.0018	0.0136	0.0119
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0045	0.07	1
Mycobacterium tuberculosis	Probable aminotransferase	0.0312	0.6232	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0045	0.07	1
Echinococcus multilocularis	ornithine aminotransferase	0.0044	0.0691	0.9863
Brugia malayi	sulfakinin receptor protein	0.0045	0.07	0.0684
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.07	1
Brugia malayi	neuropeptide F receptor	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus granulosus	biogenic amine 5HT receptor	0.0045	0.07	1
Brugia malayi	larval opioid receptor	0.0045	0.07	0.0684
Echinococcus granulosus	orexin receptor type 2	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0045	0.07	1
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.0698	0.996
Echinococcus granulosus	neuropeptide FF receptor 2	0.0045	0.07	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.07	1
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0044	0.0691	0.091
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus granulosus	neuropeptide receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	Dopamine receptor protein 2	0.0045	0.07	0.0684
Loa Loa (eye worm)	cytochrome P450 family protein	0.0018	0.0136	0.0119
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.07	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.07	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0693	0.989
Brugia malayi	ORL1-like opioid receptor	0.0045	0.07	0.0684
Echinococcus multilocularis	neuropeptide s receptor	0.0045	0.07	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.07	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.028	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus multilocularis	Aminotransferase class III	0.0044	0.0691	0.9863
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus granulosus	neuropeptide Y receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus granulosus	7tm_1 domain containing protein	0.0045	0.07	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0045	0.07	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0693	0.0676
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0045	0.07	1
Mycobacterium ulcerans	hypothetical protein	0.0312	0.6232	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0045	0.07	0.0684
Loa Loa (eye worm)	melatonin receptor type 1A	0.0045	0.07	0.0684
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0018	0.0258
Schistosoma mansoni	neuropeptide receptor	0.0045	0.07	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0693	0.989
Echinococcus multilocularis	g protein coupled receptor	0.0045	0.07	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus granulosus	neuropeptide receptor A26	0.0045	0.07	1
Echinococcus granulosus	serotonin receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0508	0.0491
Schistosoma mansoni	opsin-like receptor	0.0045	0.07	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.07	1
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0312	0.6232	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	putative neuropeptide receptor NPR1	0.0045	0.07	0.0684
Echinococcus granulosus	g protein coupled receptor	0.0045	0.07	1
Mycobacterium ulcerans	L-lysine aminotransferase	0.0044	0.0691	0.091
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Leishmania major	hypothetical protein, conserved	0.0025	0.028	1
Brugia malayi	Serotonin receptor	0.0045	0.07	0.0684
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0045	0.07	1
Loa Loa (eye worm)	pax transcription factor protein 2	0.0495	1	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0045	0.07	1
Echinococcus multilocularis	neuropeptide receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0045	0.07	1
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0312	0.6232	1
Schistosoma mansoni	hypothetical protein	0.0045	0.07	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0045	0.07	0.0684
Schistosoma mansoni	neuropeptide F-like receptor	0.0045	0.07	1
Echinococcus multilocularis	serotonin receptor	0.0045	0.07	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0045	0.07	0.0684
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	Dopamine receptor	0.0045	0.07	0.0684
Echinococcus multilocularis	g protein coupled receptor	0.0045	0.07	1
Schistosoma mansoni	hypothetical protein	0.0045	0.07	1
Schistosoma mansoni	hypothetical protein	0.0045	0.07	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.07	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0045	0.07	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.07	1
Echinococcus multilocularis	allatostatin A receptor	0.0045	0.07	1
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.0018	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0044	0.0691	0.091
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus multilocularis	neuropeptide Y receptor	0.0045	0.07	1
Echinococcus granulosus	neuropeptide Y receptor	0.0045	0.07	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0045	0.07	0.0684
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0693	0.989
Schistosoma mansoni	amine GPCR	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0045	0.07	1
Brugia malayi	Cytochrome P450 family protein	0.0018	0.0136	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0693	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0045	0.07	0.0684
Brugia malayi	G protein-coupled receptor	0.0045	0.07	0.0684
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0045	0.07	1
Echinococcus granulosus	fmrfamide receptor	0.0045	0.07	1
Brugia malayi	G-protein coupled receptor	0.0045	0.07	0.0684
Brugia malayi	Cytochrome P450 family protein	0.0018	0.0136	0.0119
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.07	1
Echinococcus granulosus	sex peptide receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus multilocularis	dro:myosuppressin receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	hypothetical protein	0.0045	0.07	0.0684
Echinococcus multilocularis	somatostatin receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Plasmodium vivax	ornithine aminotransferase, putative	0.0044	0.0691	1
Echinococcus granulosus	hypothetical protein	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0147	0.2812	0.2799
Loa Loa (eye worm)	G-protein coupled receptor	0.0045	0.07	0.0684
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0045	0.07	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.028	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0045	0.07	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.07	1
Schistosoma mansoni	histamine h1 receptor	0.0045	0.07	1
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0312	0.6232	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0041	0.062	0.8849
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0045	0.07	1
Schistosoma mansoni	myosin xvIII	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0045	0.07	0.0684
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0045	0.07	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0045	0.07	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0045	0.07	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0693	0.989
Echinococcus granulosus	neuropeptide receptor	0.0045	0.07	1
Brugia malayi	hypothetical protein	0.0045	0.07	0.0684
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0045	0.07	1
Schistosoma mansoni	biogenic amine receptor	0.0045	0.07	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.07	0.0684
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0045	0.07	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.028	1
Schistosoma mansoni	adenoreceptor	0.0045	0.07	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0045	0.07	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0045	0.07	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.39 nM	Compound was tested for its ability to inhibit human embryonal kidney cell derived steroid sulfatase activity in transforming [3H]-E1S (estrone sulfate) to E1	ChEMBL.	10377235
IC50 (binding)	= 1.4 nM	Inhibition of estrone sulfatase (unknown origin) transfected in HEK293 cells using [3H]E1S as substrate incubated for 2 hrs by liquid scintillation counting method	ChEMBL.	26974384
IC50 (binding)	= 4.1 nM	Compound was tested for its ability to inhibit the transformation of [C14]-DHEAS to DHEA by steroid sulfatase derived from human embryonal kidney cell	ChEMBL.	10377235

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.

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External resources for this compound

ChEMBL: CHEMBL1627878

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1456771