TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 336.429 | Formula: C15H16N2O3S2
H donors: 2 H acceptors: 4 LogP: 2.84 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CS(=O)(=O)O.Nc1ccc(c(c1)C)c1nc2c(s1)cccc2
InChi: 1S/C14H12N2S.CH4O3S/c1-9-8-10(15)6-7-11(9)14-16-12-4-2-3-5-13(12)17-14;1-5(2,3)4/h2-8H,15H2,1H3;1H3,(H,2,3,4)
InChiKey: LZCABCYEYFOANS-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

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
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0037	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0144	0.0144
Schistosoma mansoni	endoplasmin	0.0038	0.0152	0.0151
Brugia malayi	F/Y-rich N-terminus family protein	0.0007	0.0009	0.0439
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0009	0.0009
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.019	0.0189
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0006	0	0.0029
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0037	0.0144	0.0144
Mycobacterium ulcerans	hydrolase MutT1	0.0037	0.0144	0.0244
Leishmania major	phosphoglycerate mutase, putative	0.0037	0.0144	0.0144
Echinococcus granulosus	endoplasmin	0.0036	0.0141	0.014
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0037	0.0144	0.223
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0036	0.0141	1
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0152	0.0151
Trypanosoma cruzi	heat shock protein 85, putative	0.0038	0.0152	0.0151
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0037	0.0144	1
Echinococcus granulosus	phosphoglycerate mutase	0.0037	0.0144	0.0144
Schistosoma mansoni	hypothetical protein	0.0037	0.0144	0.0144
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0037	0.0144	0.0144
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0037	0.0144	0.0144
Schistosoma mansoni	phosphoglycerate mutase	0.0037	0.0144	0.0144
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0037	0.0144	0.0144
Trypanosoma brucei	heat shock protein 90, putative	0.0038	0.0152	0.0151
Leishmania major	glycerolphosphate mutase, putative	0.0037	0.0144	0.0144
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.0126	0.8316
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2182	1	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0009	0.0009
Onchocerca volvulus	Protein UBASH3A homolog	0.0037	0.0144	0.0144
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0152	0.0151
Trypanosoma cruzi	heat shock protein 85, putative	0.0033	0.0126	0.0126
Leishmania major	hypothetical protein, conserved	0.0037	0.0144	0.0144
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2182	1	1
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2182	1	1
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Trichomonas vaginalis	sensor histidine kinase, putative	0.0006	0	0.0029
Schistosoma mansoni	hypothetical protein	0.0037	0.0144	0.0144
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.019	0.0189
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0024	0.0086	0.0085
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0036	0.0141	0.9768
Trichomonas vaginalis	heat shock protein, putative	0.0038	0.0152	1
Brugia malayi	UBASH3A protein homolog	0.0037	0.0144	0.7591
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0037	0.0144	0.0144
Trypanosoma cruzi	heat shock protein, putative	0.0026	0.0092	0.0092
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0006	0	0.0029
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0037	0.0144	1
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0037	0.0144	0.0144
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.2145	0.9831	0.9831
Mycobacterium ulcerans	phosphoglyceromutase	0.0037	0.0144	0.0244
Brugia malayi	phosphoglycerate mutase family protein	0.0037	0.0144	0.7591
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0037	0.0144	0.9504
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0037	0.0144	0.0144
Echinococcus granulosus	phosphoglycerate mutase	0.0037	0.0144	0.0144
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0037	0.0144	1
Trichomonas vaginalis	heat shock protein, putative	0.0036	0.0141	0.9284
Echinococcus multilocularis	cpg binding protein	0.0025	0.0092	0.0092
Toxoplasma gondii	heat shock protein 75, putative	0.0026	0.0092	0.1426
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0037	0.0144	1
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0026	0.0092	0.0092
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0006	0	0.0029
Loa Loa (eye worm)	heat shock protein 90	0.0038	0.0152	0.0151
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Leishmania major	hypothetical protein, conserved	0.0037	0.0144	0.0144
Brugia malayi	phosphoglycerate mutase family protein	0.0037	0.0144	0.7591
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0006	0.0002	0.0002
Echinococcus granulosus	phosphoglycerate mutase	0.0037	0.0144	0.0144
Trichomonas vaginalis	heat shock protein, putative	0.0022	0.0078	0.512
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0006	0	0.0029
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0037	0.0144	0.0144
Echinococcus multilocularis	endoplasmin	0.0036	0.0141	0.014
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0037	0.0144	0.223
Plasmodium vivax	phosphoglycerate mutase, putative	0.0037	0.0144	0.223
Echinococcus multilocularis	phosphoglycerate mutase	0.0037	0.0144	0.0144
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0152	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0144	0.0144
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0036	0.0141	0.014
Entamoeba histolytica	heat shock protein 90, putative	0.0038	0.0152	0.0257
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0037	0.0144	0.0144
Schistosoma mansoni	cpg binding protein	0.0025	0.0092	0.0092
Plasmodium falciparum	heat shock protein 90, putative	0.0146	0.0645	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0038	0.0152	0.0257
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.1288	0.5892	1
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0144	0.9504
Onchocerca volvulus		0.0037	0.0144	0.0144
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0037	0.0144	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0037	0.0144	0.0144
Schistosoma mansoni	endoplasmin	0.0038	0.0152	0.0151
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0144	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0037	0.0144	0.9504
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0037	0.0144	0.0244
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0037	0.0144	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0006	0.0002	0.0002
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0144	0.0244
Schistosoma mansoni	heat shock protein	0.0038	0.0152	0.0151
Plasmodium vivax	endoplasmin, putative	0.0038	0.0152	0.2347
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Schistosoma mansoni	heat shock protein	0.0038	0.0152	0.0151
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0026	0.0092	0.0092
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0036	0.0141	0.9768
Brugia malayi	CXXC zinc finger family protein	0.0024	0.0086	0.4503
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.019	0.0189
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0006	0.0002	0.0002
Giardia lamblia	Hypothetical protein	0.1288	0.5892	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0038	0.0152	0.0151
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0037	0.0144	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0037	0.0144	0.0144
Mycobacterium ulcerans	lipoprotein LpqD	0.0037	0.0144	0.0244
Trypanosoma cruzi	heat shock protein 85, putative	0.0038	0.0152	0.0151
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0144	0.0244
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0037	0.0144	0.0244
Schistosoma mansoni	phosphoglycerate mutase	0.0037	0.0144	0.0144
Echinococcus multilocularis	phosphoglycerate mutase	0.0037	0.0144	0.0144
Leishmania major	heat shock protein, putative	0.0026	0.0092	0.0092
Plasmodium vivax	heat shock protein 90, putative	0.0026	0.0092	0.1426
Loa Loa (eye worm)	phosphoglycerate mutase	0.0037	0.0144	0.0144
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0037	0.0144	0.0144
Trichomonas vaginalis	receptor histidine kinase, putative	0.0006	0	0.0029
Echinococcus granulosus	cpg binding protein	0.0025	0.0092	0.0092
Brugia malayi	Endoplasmin precursor	0.0038	0.0152	0.7988
Plasmodium vivax	phosphoglucomutase-2, putative	0.0037	0.0144	0.223
Mycobacterium ulcerans	phosphohistidine phosphatase SixA	0.0037	0.0144	0.0244
Mycobacterium ulcerans	phosphoglycerate mutase	0.0037	0.0144	0.0244
Schistosoma mansoni	hypothetical protein	0.0037	0.0144	0.0144
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0037	0.0144	0.9504
Echinococcus multilocularis	heat shock protein	0.0038	0.0152	0.0151
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0037	0.0144	0.0144
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.019	0.0189
Toxoplasma gondii	heat shock protein HSP90	0.0038	0.0152	0.2347
Trichomonas vaginalis	endoplasmin, putative	0.0028	0.0103	0.6804
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0026	0.0092	0.0092
Trypanosoma cruzi	heat shock protein 85, putative	0.0038	0.0152	0.0151
Onchocerca volvulus		0.0024	0.0086	0.0085
Giardia lamblia	Grp94/Hsp90	0.0036	0.0141	0.0238
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0037	0.0144	0.223
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0037	0.0144	0.0144
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.019	0.0189
Onchocerca volvulus		0.2182	1	1
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Leishmania major	phosphoglycerate mutase protein, putative	0.0037	0.0144	0.0144
Brugia malayi	Hsp90 protein	0.0026	0.0092	0.4854
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0931	0.4253	0.4252
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.019	1
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Toxoplasma gondii	heat shock protein 90, putative	0.0038	0.0152	0.2347
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2145	0.9831	0.9831
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Trypanosoma cruzi	heat shock protein 90, putative	0.0038	0.0152	0.0151
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.2182	1	1
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0006	0.0002	0.0002
Leishmania major	hypothetical protein, unknown function	0.0037	0.0144	0.0144
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0037	0.0144	0.0144
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0037	0.0144	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.1288	0.5892	1
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0037	0.0144	1
Mycobacterium ulcerans	phosphoglycerate mutase	0.0037	0.0144	0.0244
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0037	0.0144	0.0144
Trypanosoma cruzi	Heat shock protein 83, putative	0.0038	0.0152	0.0151
Schistosoma mansoni	cpg binding protein	0.0024	0.0086	0.0085
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0037	0.0144	0.0144
Echinococcus multilocularis	phosphoglycerate mutase	0.0037	0.0144	0.0144
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0152	0.0151
Plasmodium falciparum	heat shock protein 90, putative	0.0022	0.0078	0.1198
Schistosoma mansoni	6-phosphofructokinase	0.2182	1	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0037	0.0144	0.0244
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Schistosoma mansoni	hypothetical protein	0.0037	0.0144	0.0144
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0152	0.0151
Treponema pallidum	phosphoglyceromutase	0.0037	0.0144	1
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0037	0.0144	0.0144
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0144	1
Loa Loa (eye worm)	endoplasmin	0.0038	0.0152	0.0151
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0152	0.0151
Loa Loa (eye worm)	hypothetical protein	0.2182	1	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0144	0.0144
Echinococcus granulosus	phosphoglycerate mutase	0.0037	0.0144	0.0144
Mycobacterium leprae	probable isochorismate synthase EntC	0.0037	0.0144	1
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0006	0	0.0029
Plasmodium falciparum	endoplasmin, putative	0.0028	0.0103	0.1595
Plasmodium falciparum	phosphoglucomutase-2	0.0037	0.0144	0.223
Plasmodium falciparum	heat shock protein 90	0.0038	0.0152	0.2347
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.019	0.0189
Schistosoma mansoni	cpg binding protein	0.0025	0.0092	0.0092
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0051	0.021	0.0209
Trichomonas vaginalis	receptor histidine kinase, putative	0.0006	0	0.0029
Trypanosoma cruzi	heat shock protein 90, putative	0.0016	0.0049	0.0048
Echinococcus granulosus	phosphoglycerate mutase	0.0037	0.0144	0.0144
Plasmodium vivax	heat shock protein 86, putative	0.0038	0.0152	0.2347
Entamoeba histolytica	heat shock protein 90, putative	0.0038	0.0152	0.0257
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Trypanosoma cruzi	heat shock protein 90, putative	0.0033	0.0126	0.0126
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0037	0.0144	0.223
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0037	0.0144	0.0144
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0006	0.0002	0.0002
Plasmodium vivax	heat shock protein, putative	0.0146	0.0645	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0037	0.0144	0.0144
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.2145	0.9831	0.9831
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.019	0.0189
Schistosoma mansoni	heat shock protein	0.0026	0.0092	0.0092
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0931	0.4253	0.4252
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0037	0.0144	0.0144
Onchocerca volvulus	Protein UBASH3A homolog	0.0037	0.0144	0.0144
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0037	0.0144	0.223
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0931	0.4253	0.4252
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0037	0.0144	0.0144
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0144	0.9504
Trypanosoma brucei	heat shock protein 90, putative	0.0038	0.0152	0.0151
Brugia malayi	heat shock protein 90	0.0038	0.0152	0.7988
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0037	0.0144	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0037	0.0144	0.9504
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2182	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0036	0.0141	0.9284
Echinococcus granulosus	heat shock protein 90	0.0038	0.0152	0.0151
Giardia lamblia	Hypothetical protein	0.1288	0.5892	1
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Mycobacterium ulcerans	bifunctional RNase H/acid phosphatase	0.0037	0.0144	0.0244
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Loa Loa (eye worm)	hypothetical protein	0.2145	0.9831	0.9831
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0026	0.0092	0.0156
Leishmania major	hypothetical protein, conserved	0.0037	0.0144	0.0144
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0033	0.0126	0.0213
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0152	0.0151
Echinococcus granulosus	heat shock protein 90	0.0033	0.0126	0.0126
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0037	0.0144	0.0144
Schistosoma mansoni	hypothetical protein	0.0037	0.0144	0.0144
Echinococcus granulosus	heat shock protein	0.0038	0.0152	0.0151
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0037	0.0144	0.0144
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0037	0.0144	0.0144
Echinococcus multilocularis	heat shock protein 90	0.0033	0.0126	0.0126
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0046	0.0185	0.2861
Trichomonas vaginalis	heat shock protein, putative	0.0028	0.0103	0.6804
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0033	0.0126	0.0126
Trypanosoma brucei	heat shock protein 84, putative	0.0026	0.0092	0.0092
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0037	0.0144	0.0144
Echinococcus multilocularis	heat shock protein 90	0.0038	0.0152	0.0151
Toxoplasma gondii	Hsp90 domain-containing protein	0.0146	0.0645	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0144	1
Mycobacterium ulcerans	acid phosphatase	0.0037	0.0144	0.0244
Loa Loa (eye worm)	heat shock protein 75	0.0026	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0144	0.0144
Loa Loa (eye worm)	histone methyltransferase	0.0007	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.1251	0.5722	0.5722
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0037	0.0144	0.223
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0152	0.0151
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0037	0.0144	1
Toxoplasma gondii	phosphoglycerate mutase	0.0037	0.0144	0.223
Mycobacterium ulcerans	hypothetical protein	0.1288	0.5892	1
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0037	0.0144	1
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0006	0	0.0029
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.019	0.0189
Leishmania major	heat shock protein 83-1	0.0038	0.0152	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0144	0.0144
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0931	0.4253	0.4252
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.2145	0.9831	0.9831
Onchocerca volvulus	Protein UBASH3A homolog	0.0037	0.0144	0.0144
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0037	0.0144	0.0144
Treponema pallidum	heat shock protein 90	0.0036	0.0141	0.9768
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0037	0.0144	0.0144
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0144	1
Onchocerca volvulus	Protein UBASH3A homolog	0.0037	0.0144	0.0144
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0037	0.0144	0.0144
Echinococcus multilocularis	phosphoglycerate mutase	0.0037	0.0144	0.0144
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0037	0.0144	0.9504
Echinococcus multilocularis	phosphoglycerate mutase	0.0037	0.0144	0.0144
Onchocerca volvulus		0.0037	0.0144	0.0144
Mycobacterium ulcerans	heat shock protein 90	0.0036	0.0141	0.0238
Onchocerca volvulus		0.0037	0.0144	0.0144
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0144	1
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0037	0.0144	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	< 0.0001 uM	In vitro inhibitory activity against mammary carcinoma MCF-7 cell lines	ChEMBL.	8765521
IC50 (functional)	< 0.0001 uM	In vitro inhibitory activity against mammary carcinoma MDA 468 cell lines	ChEMBL.	8765521
IC50 (functional)	< 0.0001 uM	In vitro inhibitory activity against mammary carcinoma MCF-7 cell lines	ChEMBL.	8765521
IC50 (functional)	< 0.0001 uM	In vitro inhibitory activity against mammary carcinoma MDA 468 cell lines	ChEMBL.	8765521

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	8765521

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 187301