TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 652.799 | Formula: C31H48N4O9S
H donors: 6 H acceptors: 8 LogP: 1.5 Rotable bonds: 19
Rule of 5 violations (Lipinski): 3
SMILES: COC(=O)CCCCCNC(=O)[C@@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCCCN1C[C@H](O)[C@H]([C@H]([C@H]1CO)O)O
InChi: 1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29-,30+/m0/s1
InChiKey: KIAVOUPXBIKGEF-SSPCLOMZSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	galactosidase, beta 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128163	All targets in OG5_128163
Echinococcus multilocularis	beta galactosidase	Get druggable targets OG5_128163	All targets in OG5_128163
Echinococcus granulosus	beta galactosidase	Get druggable targets OG5_128163	All targets in OG5_128163
Schistosoma japonicum	Beta-galactosidase precursor, putative	Get druggable targets OG5_128163	All targets in OG5_128163
Schistosoma japonicum	ko:K01190 beta-galactosidase [EC3.2.1.23], putative	Get druggable targets OG5_128163	All targets in OG5_128163
Schistosoma mansoni	beta-galactosidase	Get druggable targets OG5_128163	All targets in OG5_128163
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128163	All targets in OG5_128163

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
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0569	0.5
Echinococcus granulosus	allatostatin A receptor	0.0021	0.0187	0.0619
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0021	0.0187	0.0619
Echinococcus multilocularis	G protein coupled receptor 139	0.0021	0.0187	0.0619
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0021	0.0187	0.0185
Echinococcus granulosus	neuropeptide receptor A26	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Brugia malayi	hypothetical protein	0.0021	0.0187	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0021	0.0187	0.0619
Echinococcus multilocularis	g protein coupled receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0021	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Brugia malayi	neuropeptide F receptor	0.0021	0.0187	0.0185
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0687	1
Trichomonas vaginalis	glycoside hydrolases, putative	0.0159	0.4433	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0021	0.0187	0.0187
Echinococcus granulosus	neuropeptide FF receptor 2	0.0021	0.0187	0.0619
Echinococcus multilocularis	neuropeptide receptor A26	0.0021	0.0187	0.0619
Onchocerca volvulus		0.0021	0.0187	0.5
Brugia malayi	Dopamine receptor	0.0021	0.0187	0.0185
Echinococcus granulosus	biogenic amine 5HT receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0073	0.1812	0.6005
Loa Loa (eye worm)	inositol-1	0.0037	0.0687	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Schistosoma mansoni	beta-galactosidase	0.0113	0.3017	0.5578
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	serotonin receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Brugia malayi	G-protein coupled receptor	0.0021	0.0187	0.0185
Brugia malayi	hypothetical protein	0.0021	0.0187	0.0185
Onchocerca volvulus		0.0021	0.0187	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Brugia malayi	hypothetical protein	0.0021	0.0187	0.0185
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0021	0.0187	0.0619
Brugia malayi	Inositol-1	0.0037	0.0687	0.0882
Echinococcus multilocularis	neuropeptide receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus granulosus	g protein coupled receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	serotonin receptor	0.0021	0.0187	0.0619
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0687	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Onchocerca volvulus		0.0021	0.0187	0.5
Loa Loa (eye worm)	hypothetical protein	0.0113	0.3017	0.3017
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0021	0.0187	0.0619
Schistosoma mansoni	amine GPCR	0.0186	0.526	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	melatonin receptor type 1A	0.0021	0.0187	0.0187
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0021	0.0187	0.0619
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0021	0.0187	0.0619
Brugia malayi	hypothetical protein	0.0021	0.0187	0.0185
Brugia malayi	G protein-coupled receptor	0.0021	0.0187	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Onchocerca volvulus		0.0021	0.0187	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0021	0.0187	0.0185
Brugia malayi	neuropeptide F receptor	0.0021	0.0187	0.0185
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0687	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Brugia malayi	Serotonin receptor	0.0021	0.0187	0.0185
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Brugia malayi	ORL1-like opioid receptor	0.0021	0.0187	0.0185
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0034	0.0613	1
Onchocerca volvulus		0.0021	0.0187	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0021	0.0187	0.0619
Echinococcus multilocularis	neuropeptides capa receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	fmrfamide receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0021	0.0187	0.0619
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0021	0.0187	0.0619
Brugia malayi	AKH receptor	0.0021	0.0187	0.0185
Echinococcus multilocularis	orexin receptor type 2	0.0021	0.0187	0.0619
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0687	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	G-protein coupled receptor	0.0021	0.0187	0.0187
Brugia malayi	Melatonin receptor type 1A	0.0021	0.0187	0.0185
Onchocerca volvulus		0.0021	0.0187	0.5
Onchocerca volvulus		0.0021	0.0187	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0021	0.0187	0.0619
Echinococcus multilocularis	g protein coupled receptor	0.0021	0.0187	0.0619
Brugia malayi	hypothetical protein	0.0021	0.0187	0.0185
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0687	0.5
Onchocerca volvulus		0.0021	0.0187	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus granulosus	g protein coupled receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0021	0.0187	0.0619
Brugia malayi	Dopamine receptor protein 2	0.0021	0.0187	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0687	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0021	0.0187	0.0619
Echinococcus multilocularis	sex peptide receptor	0.0021	0.0187	0.0619
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0687	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.025	0.7234	0.7234
Echinococcus multilocularis	neuropeptides capa receptor	0.0021	0.0187	0.0619
Onchocerca volvulus		0.0021	0.0187	0.5
Brugia malayi	Serotonin receptor	0.0021	0.0187	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Onchocerca volvulus		0.0021	0.0187	0.5
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0687	0.0986
Echinococcus granulosus	7TM GPCR rhodopsin	0.0021	0.0187	0.0619
Echinococcus multilocularis	allatostatin A receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	hypothetical protein	0.0021	0.0187	0.0619
Onchocerca volvulus		0.0021	0.0187	0.5
Echinococcus granulosus	somatostatin receptor	0.0021	0.0187	0.0619
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0687	0.2278
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0021	0.0187	0.0185
Echinococcus granulosus	neuropeptide Y receptor	0.0021	0.0187	0.0619
Brugia malayi	hypothetical protein	0.0021	0.0187	0.0185
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	neuropeptide s receptor	0.0021	0.0187	0.0619
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0073	0.1812	0.6005
Echinococcus granulosus	tm gpcr rhodopsin	0.0021	0.0187	0.0619
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Brugia malayi	G-protein coupled receptor	0.0021	0.0187	0.0185
Brugia malayi	Dopamine receptor protein 1	0.0021	0.0187	0.0185
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0021	0.0187	0.0187
Onchocerca volvulus		0.0021	0.0187	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0687	0.2278
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus granulosus	sex peptide receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	dro:myosuppressin receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0021	0.0187	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Onchocerca volvulus		0.0021	0.0187	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Brugia malayi	putative neuropeptide receptor	0.0021	0.0187	0.0185
Echinococcus multilocularis	fmrfamide receptor	0.0021	0.0187	0.0619
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0021	0.0187	0.0185
Brugia malayi	larval opioid receptor	0.0021	0.0187	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0328	0.0328
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0021	0.0187	0.0185
Onchocerca volvulus		0.0021	0.0187	0.5
Onchocerca volvulus		0.0021	0.0187	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0021	0.0187	0.0619
Echinococcus granulosus	neuropeptides capa receptor	0.0021	0.0187	0.0619
Brugia malayi	hypothetical protein	0.0021	0.0187	0.0185
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0021	0.0187	0.0619
Onchocerca volvulus		0.0021	0.0187	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Trichomonas vaginalis	beta-glucosidase, putative	0.0159	0.4433	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0021	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0021	0.0187	0.0619
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0021	0.0187	0.0619
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0687	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0021	0.0187	0.0187
Echinococcus multilocularis	g protein coupled receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	somatostatin receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	TYRA-2 protein	0.0021	0.0187	0.0187
Loa Loa (eye worm)	G-protein coupled receptor	0.0021	0.0187	0.0187
Loa Loa (eye worm)	neuropeptide F receptor	0.0021	0.0187	0.0187
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0021	0.0187	0.0619
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0021	0.0187	0.0619
Echinococcus multilocularis	neuropeptide Y receptor	0.0021	0.0187	0.0619
Brugia malayi	G protein-coupled receptor F59B2.13	0.0021	0.0187	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus granulosus	G protein coupled receptor 139	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0021	0.0187	0.0619
Echinococcus granulosus	tm gpcr rhodopsin	0.0021	0.0187	0.0619
Echinococcus granulosus	g-protein coupled receptor	0.0021	0.0187	0.0619
Echinococcus multilocularis	beta galactosidase	0.0113	0.3017	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0021	0.0187	0.0619
Brugia malayi	RE15519p	0.0021	0.0187	0.0185
Echinococcus granulosus	beta galactosidase	0.0113	0.3017	1
Brugia malayi	hypothetical protein	0.0021	0.0187	0.0185
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0021	0.0187	0.0619
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0021	0.0187	0.0185
Echinococcus granulosus	neuropeptide receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	neuropeptide Y receptor	0.0021	0.0187	0.0619
Echinococcus multilocularis	g-protein coupled receptor	0.0021	0.0187	0.0619
Onchocerca volvulus		0.0021	0.0187	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Echinococcus granulosus	orexin receptor type 2	0.0021	0.0187	0.0619
Echinococcus granulosus	neuropeptide Y receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Brugia malayi	hypothetical protein	0.0021	0.0187	0.0185
Brugia malayi	putative neuropeptide receptor NPR1	0.0021	0.0187	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0021	0.0187	0.0619
Brugia malayi	hypothetical protein	0.0025	0.0328	0.0381
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Echinococcus granulosus	neuropeptide receptor	0.0021	0.0187	0.0619
Brugia malayi	GnHR receptor homolog	0.0021	0.0187	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	serotonin receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0021	0.0187	0.0619
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0021	0.0187	0.0619
Brugia malayi	hypothetical protein	0.0021	0.0187	0.0185
Echinococcus granulosus	g protein coupled receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	neuropeptide s receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0569	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	fmrfamide receptor	0.0021	0.0187	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0021	0.0187	0.0619
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0687	0.0986
Brugia malayi	follicle stimulating hormone receptor	0.025	0.7234	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Brugia malayi	sulfakinin receptor protein	0.0021	0.0187	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0187	0.0187
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0021	0.0187	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0187	0.0619
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.0613	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.8 uM	Inhibition of human lysosomal beta galactosidase	ChEMBL.	18996021
Ki (binding)		Inhibition of Escherichia coli beta-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry	ChEMBL.	21974950
Ki (binding)		Inhibition of green coffee bean alpha-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry	ChEMBL.	21974950
Ki (binding)	= 0.6 uM	Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence spectrophotometry	ChEMBL.	21974950

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL505422

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1181495