TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 464.466 | Formula: C29H20O6
H donors: 3 H acceptors: 5 LogP: 5.55 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)c1cccc(c1)C(=O)O
InChi: 1S/C29H20O6/c30-22-10-8-19(9-11-22)28-25(27(32)24-13-12-23(31)16-26(24)35-28)14-17-4-6-18(7-5-17)20-2-1-3-21(15-20)29(33)34/h1-13,15-16,30-31H,14H2,(H,33,34)
InChiKey: FTADOYUTBLFORS-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	protein tyrosine phosphatase, non-receptor type 1	Starlite/ChEMBL	References
Homo sapiens	acid phosphatase 1, soluble	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Candida albicans	C terminus of potential Low molecular weight phosphoTyrosine Phosphatase	Get druggable targets OG5_127571	All targets in OG5_127571
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	Get druggable targets OG5_127571	All targets in OG5_127571
Onchocerca volvulus		Get druggable targets OG5_127571	All targets in OG5_127571
Entamoeba histolytica	protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Entamoeba histolytica	protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	Get druggable targets OG5_133865	All targets in OG5_133865
Schistosoma japonicum	ko:K05696 protein tyrosine phosphatase, non-receptor type 1, putative	Get druggable targets OG5_133865	All targets in OG5_133865
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133865	All targets in OG5_133865
Candida albicans	3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene	Get druggable targets OG5_127571	All targets in OG5_127571
Loa Loa (eye worm)	protein-tyrosine phosphatase	Get druggable targets OG5_133865	All targets in OG5_133865
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	Get druggable targets OG5_133865	All targets in OG5_133865
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	Get druggable targets OG5_127571	All targets in OG5_127571
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	Get druggable targets OG5_133865	All targets in OG5_133865
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	Get druggable targets OG5_127571	All targets in OG5_127571
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	Get druggable targets OG5_127571	All targets in OG5_127571
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	Get druggable targets OG5_127571	All targets in OG5_127571
Brugia malayi	Protein-tyrosine phosphatase containing protein	Get druggable targets OG5_133865	All targets in OG5_133865

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Probable acyl-[acyl-carrier protein] desaturase DesA1 (acyl-[ACP] desaturase) (stearoyl-ACP desaturase) (protein Des)	acid phosphatase 1, soluble	112 aa	107 aa	24.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0102	0.0323
Schistosoma mansoni	cathepsin D (A01 family)	0.0141	0.185	0.1679
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Schistosoma mansoni	amine GPCR	0.0076	0.0868	0.0676
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0048	0.0429	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.0868	0.0676
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.031	0.0106
Echinococcus granulosus	biogenic amine 5HT receptor	0.0076	0.0868	0.0693
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0332	0.477	0.7733
Mycobacterium tuberculosis	Probable esterase LipL	0.004	0.031	0.0861
Onchocerca volvulus		0.0076	0.0868	0.2118
Mycobacterium tuberculosis	Conserved protein	0.004	0.031	0.0861
Onchocerca volvulus		0.0076	0.0868	0.2118
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0026	0.0096	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0423	0.6168	0.6087
Brugia malayi	putative neuropeptide receptor NPR1	0.0076	0.0868	0.1263
Brugia malayi	hypothetical protein	0.0076	0.0868	0.1263
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0423	0.6168	1
Schistosoma mansoni	survival motor neuron protein	0.0054	0.0518	0.0318
Entamoeba histolytica	hypothetical protein	0.004	0.031	0.0699
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.031	0.0984
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.004	0.031	0.0861
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0475	0.0275
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0206	0.3297
Echinococcus granulosus	sex peptide receptor	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.004	0.031	0.0503
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.004	0.031	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus multilocularis	serotonin receptor	0.0076	0.0868	0.0676
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0475	0.0275
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0475	0.0275
Brugia malayi	beta-lactamase family protein	0.004	0.031	0.0344
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0092	0.111	0.0923
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0231	0.323	0.5237
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0764	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0076	0.0868	0.0693
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.031	0.0503
Brugia malayi	sulfakinin receptor protein	0.0076	0.0868	0.1263
Schistosoma mansoni	hypothetical protein	0.0036	0.0244	0.0039
Echinococcus multilocularis	neuropeptide Y receptor	0.0076	0.0868	0.0676
Onchocerca volvulus		0.0076	0.0868	0.2118
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0226	0.3152	0.5028
Schistosoma mansoni	neuropeptide receptor	0.0076	0.0868	0.0676
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0076	0.0868	0.0676
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0226	0.3152	0.5
Echinococcus multilocularis	sex peptide receptor	0.0076	0.0868	0.0676
Schistosoma mansoni	hypothetical protein	0.0076	0.0868	0.0676
Schistosoma mansoni	neuropeptide receptor	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0076	0.0868	0.0693
Schistosoma mansoni	opsin-like receptor	0.0076	0.0868	0.0676
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0226	0.3152	1
Brugia malayi	putative neuropeptide receptor	0.0076	0.0868	0.1263
Echinococcus granulosus	fmrfamide receptor	0.0076	0.0868	0.0693
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0226	0.3152	0.511
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0102	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Onchocerca volvulus		0.0076	0.0868	0.2118
Echinococcus granulosus	neuropeptide Y receptor	0.0076	0.0868	0.0693
Echinococcus granulosus	hypothetical protein	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus multilocularis	survival motor neuron protein 1	0.0262	0.3711	0.3579
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0076	0.0868	0.0676
Brugia malayi	hypothetical protein	0.0076	0.0868	0.1263
Echinococcus granulosus	tm gpcr rhodopsin	0.0076	0.0868	0.0693
Brugia malayi	Melatonin receptor type 1A	0.0076	0.0868	0.1263
Echinococcus multilocularis	fmrfamide receptor	0.0076	0.0868	0.0676
Echinococcus granulosus	g-protein coupled receptor	0.0076	0.0868	0.0693
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.0868	0.0676
Schistosoma mansoni	amine GPCR	0.0076	0.0868	0.0676
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.031	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Loa Loa (eye worm)	hypothetical protein	0.004	0.031	0.0503
Schistosoma mansoni	hypothetical protein	0.0076	0.0868	0.0676
Loa Loa (eye worm)	TYRA-2 protein	0.0076	0.0868	0.1407
Entamoeba histolytica	hypothetical protein	0.004	0.031	0.0699
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.0868	0.0693
Loa Loa (eye worm)	neuropeptide F receptor	0.0076	0.0868	0.1407
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0102	0.0323
Mycobacterium ulcerans	hypothetical protein	0.004	0.031	0.0984
Loa Loa (eye worm)	G-protein coupled receptor	0.0076	0.0868	0.1407
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Onchocerca volvulus		0.0226	0.3152	0.8435
Echinococcus multilocularis	neuropeptide s receptor	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0076	0.0868	0.0676
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0475	0.0275
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0026	0.0096	0.5
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.007	0.0764	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0076	0.0868	0.1263
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0764	1
Schistosoma mansoni	hypothetical protein	0.0054	0.0518	0.0318
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0076	0.0868	0.0693
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.0868	0.0676
Schistosoma mansoni	hypothetical protein	0.004	0.031	0.0106
Plasmodium falciparum	plasmepsin IV	0.0048	0.0429	1
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0026	0.0096	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0102	0.0323
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0076	0.0868	0.0676
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0496	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus multilocularis	g protein coupled receptor	0.0076	0.0868	0.0676
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0048	0.0429	0.0348
Echinococcus granulosus	7TM GPCR rhodopsin	0.0076	0.0868	0.0693
Echinococcus multilocularis	somatostatin receptor	0.0076	0.0868	0.0676
Brugia malayi	hypothetical protein	0.0076	0.0868	0.1263
Echinococcus granulosus	G protein coupled receptor 139	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Onchocerca volvulus		0.0263	0.3718	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0141	0.185	0.1679
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Brugia malayi	hypothetical protein	0.004	0.031	0.0343
Echinococcus granulosus	neuropeptide s receptor	0.0076	0.0868	0.0693
Echinococcus multilocularis	neuropeptide receptor	0.0076	0.0868	0.0676
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0102	0.0018
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Mycobacterium ulcerans	beta-lactamase	0.004	0.031	0.0984
Echinococcus granulosus	g protein coupled receptor	0.0076	0.0868	0.0693
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0496	0.065
Brugia malayi	AKH receptor	0.0076	0.0868	0.1263
Echinococcus multilocularis	serotonin receptor	0.0076	0.0868	0.0676
Echinococcus granulosus	L aminoadipate semialdehyde	0.0092	0.111	0.094
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus granulosus	tm gpcr rhodopsin	0.0076	0.0868	0.0693
Echinococcus granulosus	neuropeptide Y receptor	0.0076	0.0868	0.0693
Onchocerca volvulus		0.0076	0.0868	0.2118
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0226	0.3152	0.8339
Onchocerca volvulus		0.0076	0.0868	0.2118
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0026	0.0096	0.0305
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0475	0.0275
Echinococcus granulosus	g protein coupled receptor	0.0076	0.0868	0.0693
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0076	0.0868	0.0676
Plasmodium falciparum	plasmepsin II	0.0048	0.0429	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0102	0.0323
Brugia malayi	G protein-coupled receptor F59B2.13	0.0076	0.0868	0.1263
Brugia malayi	beta-lactamase	0.004	0.031	0.0344
Echinococcus granulosus	neuropeptide receptor A26	0.0076	0.0868	0.0693
Echinococcus multilocularis	g protein coupled receptor	0.0076	0.0868	0.0676
Brugia malayi	hypothetical protein	0.0076	0.0868	0.1263
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Brugia malayi	hypothetical protein	0.0076	0.0868	0.1263
Plasmodium vivax	plasmepsin IV, putative	0.0048	0.0429	1
Brugia malayi	G-protein coupled receptor	0.0076	0.0868	0.1263
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0076	0.0868	0.0676
Onchocerca volvulus		0.0054	0.0518	0.115
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.007	0.0764	0.1331
Brugia malayi	beta-lactamase family protein	0.004	0.031	0.0344
Brugia malayi	hypothetical protein	0.0076	0.0868	0.1263
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0076	0.0868	0.1263
Brugia malayi	hypothetical protein	0.0076	0.0868	0.1263
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0076	0.0868	0.0676
Plasmodium falciparum	plasmepsin VI	0.0048	0.0429	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0496	0.065
Echinococcus granulosus	survival motor neuron protein 1	0.0262	0.3711	0.3591
Onchocerca volvulus		0.0076	0.0868	0.2118
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0076	0.0868	0.0676
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.0868	0.0676
Brugia malayi	Dopamine receptor	0.0076	0.0868	0.1263
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0102	0.0323
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0226	0.3152	0.8339
Loa Loa (eye worm)	hypothetical protein	0.004	0.031	0.0503
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0076	0.0868	0.0676
Schistosoma mansoni	adenoreceptor	0.0076	0.0868	0.0676
Schistosoma mansoni	opsin-like receptor	0.0076	0.0868	0.0676
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0102	0.0018
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0076	0.0868	0.0676
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.031	0.0107
Mycobacterium tuberculosis	Conserved protein	0.004	0.031	0.0861
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0076	0.0868	0.0693
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0423	0.6168	0.6087
Schistosoma mansoni	growth hormone secretagogue receptor	0.0076	0.0868	0.0676
Mycobacterium tuberculosis	Probable hydrolase	0.004	0.031	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Onchocerca volvulus		0.0076	0.0868	0.2118
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0102	0.0083
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0048	0.0429	0.0228
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0165
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0226	0.3152	0.8339
Loa Loa (eye worm)	hypothetical protein	0.004	0.031	0.0503
Loa Loa (eye worm)	G-protein coupled receptor	0.0076	0.0868	0.1407
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0206	0.0019
Echinococcus granulosus	g protein coupled receptor	0.0076	0.0868	0.0693
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0076	0.0868	0.0676
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.0868	0.0676
Toxoplasma gondii	ABC1 family protein	0.004	0.031	0.6433
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0026	0.0096	0.0267
Plasmodium falciparum	plasmepsin I	0.0048	0.0429	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0102	0.0282
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0102	0.0282
Echinococcus multilocularis	g protein coupled receptor	0.0076	0.0868	0.0676
Loa Loa (eye worm)	neuropeptide F receptor	0.0076	0.0868	0.1407
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0076	0.0868	0.1407
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.0868	0.0676
Echinococcus granulosus	orexin receptor type 2	0.0076	0.0868	0.0693
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0076	0.0868	0.0693
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0226	0.3152	0.8339
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0076	0.0868	0.2118
Onchocerca volvulus		0.0076	0.0868	0.2118
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.0868	0.0676
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.0868	0.0676
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.0868	0.0676
Schistosoma mansoni	neuropeptide f receptor 76f	0.0076	0.0868	0.0676
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0475	0.0616
Entamoeba histolytica	hypothetical protein	0.004	0.031	0.0699
Onchocerca volvulus		0.0076	0.0868	0.2118
Brugia malayi	G protein-coupled receptor	0.0076	0.0868	0.1263
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0076	0.0868	0.0676
Entamoeba histolytica	hypothetical protein	0.004	0.031	0.0699
Brugia malayi	Dopamine receptor protein 2	0.0076	0.0868	0.1263
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0076	0.0868	0.2118
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0096	0.2242
Echinococcus multilocularis	neuropeptide receptor A26	0.0076	0.0868	0.0676
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.0868	0.0676
Schistosoma mansoni	amine GPCR	0.0076	0.0868	0.0676
Onchocerca volvulus		0.0076	0.0868	0.2118
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0102	0.0083
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Brugia malayi	ORL1-like opioid receptor	0.0076	0.0868	0.1263
Schistosoma mansoni	neuropeptide receptor	0.0674	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0165
Schistosoma mansoni	biogenic amine receptor	0.0076	0.0868	0.0676
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0102	0.0323
Echinococcus granulosus	allatostatin A receptor	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.004	0.031	0.0503
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.0868	0.0693
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.0868	0.0693
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.031	0.3207
Brugia malayi	larval opioid receptor	0.0076	0.0868	0.1263
Echinococcus granulosus	neuropeptide receptor	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0423	0.6168	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0475	0.0294
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.0518	0.0686
Onchocerca volvulus		0.0076	0.0868	0.2118
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0226	0.3152	0.8339
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.004	0.031	0.0861
Schistosoma mansoni	myosin xvIII	0.0076	0.0868	0.0676
Onchocerca volvulus		0.0076	0.0868	0.2118
Schistosoma mansoni	neuropeptide F-like receptor	0.0076	0.0868	0.0676
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0076	0.0868	0.0676
Echinococcus multilocularis	neuropeptide Y receptor	0.0076	0.0868	0.0676
Brugia malayi	hypothetical protein	0.0076	0.0868	0.1263
Schistosoma mansoni	opsin-like receptor	0.0076	0.0868	0.0676
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0048	0.0429	0.0246
Schistosoma mansoni	histamine h1 receptor	0.0076	0.0868	0.0676
Brugia malayi	neuropeptide F receptor	0.0076	0.0868	0.1263
Echinococcus granulosus	neuropeptides capa receptor	0.0076	0.0868	0.0693
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0076	0.0868	0.0676
Echinococcus granulosus	biogenic amine 5HT receptor	0.0076	0.0868	0.0693
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0092	0.111	0.0923
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0076	0.0868	0.1263
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0076	0.0868	0.0676
Schistosoma mansoni	biogenic amine receptor	0.0076	0.0868	0.0676
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.031	0.0107
Echinococcus multilocularis	neuropeptides capa receptor	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0226	0.3152	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0475	0.0294
Loa Loa (eye worm)	melatonin receptor type 1A	0.0076	0.0868	0.1407
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Schistosoma mansoni	neuropeptide F-like receptor	0.0076	0.0868	0.0676
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0076	0.0868	0.1263
Leishmania major	hypothetical protein, conserved	0.004	0.031	0.3207
Brugia malayi	RE15519p	0.0076	0.0868	0.1263
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0076	0.0868	0.0676
Plasmodium vivax	hypothetical protein, conserved	0.004	0.031	0.7233
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0076	0.0868	0.1263
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.0868	0.0676
Brugia malayi	hypothetical protein	0.0076	0.0868	0.1263
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0096	0.2242
Echinococcus multilocularis	fmrfamide receptor	0.0076	0.0868	0.0676
Echinococcus multilocularis	g-protein coupled receptor	0.0076	0.0868	0.0676
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0076	0.0868	0.0693
Echinococcus granulosus	tm gpcr rhodopsin	0.0076	0.0868	0.0693
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0048	0.0429	0.0695
Leishmania major	hypothetical protein, conserved	0.007	0.0764	1
Brugia malayi	G-protein coupled receptor	0.0076	0.0868	0.1263
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0076	0.0868	0.0676
Onchocerca volvulus		0.0092	0.111	0.2788
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0076	0.0868	0.0676
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0076	0.0868	0.0676
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0076	0.0868	0.0676
Mycobacterium tuberculosis	Probable lipase LipD	0.004	0.031	0.0861
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0102	0.0257
Onchocerca volvulus		0.0076	0.0868	0.2118
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0244	0.0234
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.031	0.0125
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.031	0.0984
Echinococcus multilocularis	orexin receptor type 2	0.0076	0.0868	0.0676
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0226	0.3152	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0092	0.111	0.1662
Brugia malayi	follicle stimulating hormone receptor	0.0332	0.477	0.7695
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0255	0.3602	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Schistosoma mansoni	hypothetical protein	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0076	0.0868	0.0676
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0076	0.0868	0.0676
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0102	0.0018
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0206	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0429	0.0695
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0423	0.6168	0.6095
Mycobacterium tuberculosis	Conserved protein	0.004	0.031	0.0861
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0026	0.0096	0.0305
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0102	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Brugia malayi	Dopamine receptor protein 1	0.0076	0.0868	0.1263
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.007	0.0764	0.1331
Loa Loa (eye worm)	hypothetical protein	0.0262	0.3711	0.6016
Brugia malayi	GnHR receptor homolog	0.0076	0.0868	0.1263
Echinococcus multilocularis	dro:myosuppressin receptor	0.0076	0.0868	0.0676
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.0868	0.0693
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0076	0.0868	0.0676
Mycobacterium leprae	Probable lipase LipE	0.004	0.031	1
Brugia malayi	Serotonin receptor	0.0076	0.0868	0.1263
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0076	0.0868	0.0693
Schistosoma mansoni	amine GPCR	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus granulosus	serotonin receptor	0.0076	0.0868	0.0693
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0076	0.0868	0.0676
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.0868	0.0676
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0076	0.0868	0.1407
Echinococcus multilocularis	G protein coupled receptor 139	0.0674	1	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.031	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0076	0.0868	0.0676
Onchocerca volvulus		0.0076	0.0868	0.2118
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus multilocularis	allatostatin A receptor	0.0076	0.0868	0.0676
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0048	0.0429	0.0228
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.004	0.031	0.0503
Mycobacterium tuberculosis	Probable lipase LipE	0.004	0.031	0.0861
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0076	0.0868	0.0676
Brugia malayi	Pre-SET motif family protein	0.0231	0.323	0.5157
Echinococcus multilocularis	neuropeptides capa receptor	0.0076	0.0868	0.0676
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.0868	0.0676
Mycobacterium leprae	conserved hypothetical protein	0.004	0.031	1
Onchocerca volvulus		0.0076	0.0868	0.2118
Brugia malayi	hypothetical protein	0.0262	0.3711	0.595
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0475	0.0771
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus granulosus	7tm_1 domain containing protein	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.0868	0.0676
Mycobacterium ulcerans	lipase LipD	0.004	0.031	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0092	0.111	0.1799
Schistosoma mansoni	hypothetical protein	0.0076	0.0868	0.0676
Brugia malayi	Pre-SET motif family protein	0.0033	0.0206	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0496	0.0804
Brugia malayi	hypothetical protein	0.0076	0.0868	0.1263
Onchocerca volvulus		0.004	0.031	0.0577
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0156	0.2088	0.5796
Echinococcus multilocularis	neuropeptide receptor	0.0674	1	1
Schistosoma mansoni	biogenic amine receptor	0.0076	0.0868	0.0676
Echinococcus granulosus	neuropeptides capa receptor	0.0076	0.0868	0.0693
Loa Loa (eye worm)	beta-lactamase	0.004	0.031	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0244	0.0395
Schistosoma mansoni	amine GPCR	0.0076	0.0868	0.0676
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus granulosus	neuropeptide FF receptor 2	0.0076	0.0868	0.0693
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0076	0.0868	0.0676
Toxoplasma gondii	aspartyl protease ASP1	0.0048	0.0429	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.031	0.0107
Brugia malayi	neuropeptide F receptor	0.0076	0.0868	0.1263
Schistosoma mansoni	neuropeptide receptor	0.0076	0.0868	0.0676
Echinococcus granulosus	somatostatin receptor	0.0076	0.0868	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0165
Brugia malayi	Serotonin receptor	0.0076	0.0868	0.1263
Plasmodium vivax	SET domain protein, putative	0.0033	0.0206	0.48
Onchocerca volvulus		0.0033	0.0206	0.0288
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0076	0.0868	0.0676
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.031	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Onchocerca volvulus		0.004	0.031	0.0577
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0102	0.0257
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0102	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.0868	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0076	0.0868	0.1407
Onchocerca volvulus		0.0076	0.0868	0.2118
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0076	0.0868	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0868	0.1407
Plasmodium vivax	aspartyl proteinase, putative	0.0048	0.0429	1
Onchocerca volvulus		0.004	0.031	0.0577
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0076	0.0868	0.1407
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0226	0.3152	0.8339
Trichomonas vaginalis	set domain proteins, putative	0.0263	0.3718	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.2 uM	Inhibition of human cloned PTP1B expressed in Escherichia coli TB1	ChEMBL.	19297174
IC50 (binding)	= 11.4 uM	Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1	ChEMBL.	19297174
IC50 (binding)	= 26.8 uM	Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1	ChEMBL.	19297174

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: CHEMBL493122

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 993890