TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 471.569 | Formula: C24H29N3O5S
H donors: 1 H acceptors: 3 LogP: 4.41 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(Nc2ccc3c(n2)ccc(c3)S(=O)(=O)N2CCCCC2C)cc(c1OC)OC
InChi: 1S/C24H29N3O5S/c1-16-7-5-6-12-27(16)33(28,29)19-9-10-20-17(13-19)8-11-23(26-20)25-18-14-21(30-2)24(32-4)22(15-18)31-3/h8-11,13-16H,5-7,12H2,1-4H3,(H,25,26)
InChiKey: AMPNVQJPVKIKEY-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
Plasmodium falciparum	hexose transporter	Starlite/ChEMBL	No references
Homo sapiens	solute carrier family 2 (facilitated glucose transporter), member 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	General substrate transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Candida albicans	almost identical to C terminus of CaP19.2425	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Candida albicans	C terminus is almost identical to CaP19.2865	Get druggable targets OG5_127135	All targets in OG5_127135
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	Solute carrier family 2, facilitated glucose transporter member 3, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	ko:K07299 MFS transporter, SP family, solute carrier family 2 (facilitated, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Plasmodium vivax	hexose transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	IPR005828,General substrate transporter,domain-containing	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	Solute carrier family 2, facilitated glucose transporter member 4, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Neospora caninum	Glucose transporter 1A, related	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma mansoni	glucose transport protein	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma mansoni	glucose transport protein	Get druggable targets OG5_127135	All targets in OG5_127135
Plasmodium berghei	hexose transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Candida albicans	C terminus is almost identical to CaP19.2865	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Toxoplasma gondii	facilitative glucose transporter GT1	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma mansoni	glucose transport protein	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	ko:K07191 MFS transporter, SP family, solute carrier family 2 (facilitated, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	Solute carrier family 2, facilitated glucose transporter member 1, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Plasmodium knowlesi	hexose transporter, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Brugia malayi	Sugar transporter family protein	Get druggable targets OG5_127135	All targets in OG5_127135
Plasmodium falciparum	hexose transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	General substrate transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Candida albicans	almost identical to C terminus of CaP19.2425	Get druggable targets OG5_127135	All targets in OG5_127135
Plasmodium yoelii	putative sugar transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Loa Loa (eye worm)	sugar transporter	Get druggable targets OG5_127135	All targets in OG5_127135

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	glucose transporter, putative	hexose transporter	504 aa	426 aa	22.3 %
Trypanosoma brucei	glucose transporter, putative	solute carrier family 2 (facilitated glucose transporter), member 1	492 aa	395 aa	23.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.0571	0.1272
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0012	0.0041	0.0041
Echinococcus multilocularis	lamin	0.0028	0.0266	0.0266
Schistosoma mansoni	cpg binding protein	0.0029	0.0275	0.0235
Entamoeba histolytica	fatty acid elongase, putative	0.004	0.0438	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.012	0.1549	0.1549
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.0571	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0117	0.138
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.012	0.1549	0.1549
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Schistosoma mansoni	hypothetical protein	0.0169	0.2223	0.2191
Schistosoma mansoni	sugar transporter	0.0012	0.0041	0.0001
Echinococcus multilocularis	microtubule associated protein 2	0.0728	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.0571	0.9615
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0117	0.0117
Schistosoma mansoni	hypothetical protein	0.0036	0.0375	0.0336
Echinococcus multilocularis	geminin	0.0169	0.2223	0.2223
Plasmodium falciparum	glutathione reductase	0.0017	0.0117	0.0183
Onchocerca volvulus		0.0029	0.0275	0.121
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0241	0.048
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0127	0.1636	0.3834
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.012	0.1549	0.1549
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0017	0.0117	0.138
Entamoeba histolytica	fatty acid elongase, putative	0.004	0.0438	1
Loa Loa (eye worm)	sugar transporter	0.0012	0.0041	0.0132
Plasmodium falciparum	thioredoxin reductase	0.005	0.0571	0.1272
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Schistosoma mansoni	sugar transporter	0.0012	0.0041	0.0001
Toxoplasma gondii	thioredoxin reductase	0.005	0.0571	0.3511
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0117	0.0246
Schistosoma mansoni	lamin	0.0028	0.0266	0.0227
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0.0117	0.138
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Brugia malayi	Thioredoxin reductase	0.005	0.0571	0.1716
Echinococcus multilocularis	General substrate transporter	0.0108	0.1384	0.1384
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0795	0.2544
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0013	0.0054	0.0039
Echinococcus granulosus	GPCR family 2	0.0066	0.0795	0.0795
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0275	0.0756
Onchocerca volvulus		0.0028	0.0266	0.1168
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0275	0.0878
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.004	0.004
Schistosoma mansoni	hypothetical protein	0.0143	0.1861	0.1828
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0117	0.138
Echinococcus granulosus	mitogen activated protein kinase 3	0.0051	0.0592	0.0592
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0017	0.0117	0.138
Schistosoma mansoni	sugar transporter	0.0012	0.0041	0.0001
Brugia malayi	Latrophilin receptor protein 2	0.0066	0.0795	0.2444
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0012	0.0041	0.0041
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0051	0.0592	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.1628	0.5209
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0017	0.0117	0.0183
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.0571	0.0571
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0209	0.2779	0.8891
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0117	0.138
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0117	0.138
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0017	0.0117	0.138
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0117	0.0183
Plasmodium vivax	hexose transporter	0.012	0.1549	0.3624
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0117	0.138
Schistosoma mansoni	hypothetical protein	0.0066	0.0795	0.0758
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0017	0.0117	0.0183
Echinococcus multilocularis	tumor protein p63	0.0357	0.4834	0.4834
Schistosoma mansoni	cpg binding protein	0.003	0.0297	0.0258
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0066	0.0795	0.0795
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0117	0.138
Leishmania major	hypothetical protein, conserved	0.0026	0.0241	0.3627
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0017	0.0117	0.0183
Echinococcus multilocularis	solute carrier family 22	0.0012	0.0041	0.0041
Plasmodium falciparum	glutathione reductase	0.005	0.0571	0.1272
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0051	0.0592	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0114	0.1459	0.3409
Echinococcus granulosus	synaptic vesicle 2 protein	0.0012	0.0041	0.0041
Onchocerca volvulus		0.0052	0.0603	0.2911
Loa Loa (eye worm)	glutathione reductase	0.005	0.0571	0.1825
Echinococcus multilocularis	solute carrier family 22	0.0012	0.0041	0.0041
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0209	0.2779	0.8876
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0311	0.4201	1
Loa Loa (eye worm)	sugar transporter	0.012	0.1549	0.4955
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0375	0.0336
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0311	0.4201	1
Brugia malayi	MH2 domain containing protein	0.0126	0.1628	0.5144
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.1549	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0241	0.3627
Plasmodium falciparum	thioredoxin reductase	0.0017	0.0117	0.0183
Schistosoma mansoni	cpg binding protein	0.003	0.0297	0.0258
Entamoeba histolytica	fatty acid elongase, putative	0.004	0.0438	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0266	0.073
Echinococcus granulosus	cpg binding protein	0.003	0.0297	0.0297
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0127	0.1636	1
Schistosoma mansoni	hypothetical protein	0.0066	0.0795	0.0758
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0051	0.0592	0.1893
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0592	0.3651
Echinococcus multilocularis	cpg binding protein	0.003	0.0297	0.0297
Mycobacterium tuberculosis	Probable dehydrogenase	0.0114	0.1459	0.3409
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0017	0.0117	0.0183
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0592	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0051	0.0592	1
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.0571	0.1825
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0127	0.1636	0.3834
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0117	0.138
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0241	0.0771
Echinococcus granulosus	lamin dm0	0.0028	0.0266	0.0266
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0017	0.0117	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0143	0.1861	0.5953
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0311	0.4201	1
Brugia malayi	glutathione reductase	0.005	0.0571	0.1716
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0241	0.048
Trichomonas vaginalis	glutathione reductase, putative	0.0017	0.0117	0.0504
Echinococcus multilocularis	GPCR, family 2	0.0066	0.0795	0.0795
Brugia malayi	hypothetical protein	0.0151	0.1969	0.6249
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0017	0.0117	0.0183
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0241	0.048
Onchocerca volvulus		0.0151	0.1969	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Plasmodium falciparum	hexose transporter	0.012	0.1549	0.3624
Echinococcus granulosus	solute carrier family 22	0.0012	0.0041	0.0041
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0114	0.1459	0.3409
Trichomonas vaginalis	mercuric reductase, putative	0.0017	0.0117	0.0504
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0311	0.4201	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0066	0.0795	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0051	0.0592	1
Echinococcus multilocularis	musashi	0.0028	0.0266	0.0266
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0017	0.0117	0.0183
Trypanosoma cruzi	trypanothione reductase, putative	0.0017	0.0117	0.138
Echinococcus granulosus	intermediate filament protein	0.0028	0.0266	0.0266
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0234	0.3126	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.1628	0.5209
Echinococcus granulosus	solute carrier family 22	0.0012	0.0041	0.0041
Giardia lamblia	Kinase, CMGC MAPK	0.0051	0.0592	1
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0603	0.0565
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0375	0.0375
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.012	0.1549	0.1549
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0266	0.0852
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Mycobacterium tuberculosis	Probable reductase	0.0114	0.1459	0.3409
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0117	0.0183
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0117	0.0077
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.012	0.1549	0.1549
Trypanosoma brucei	trypanothione reductase	0.005	0.0571	0.9615
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0592	1
Schistosoma mansoni	lamin	0.0028	0.0266	0.0227
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.063	0.3906
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.004	0.004
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0051	0.0592	0.3651
Brugia malayi	intermediate filament protein	0.0028	0.0266	0.073
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0259	0.083
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.0571	0.1272
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0017	0.0117	0.138
Brugia malayi	hypothetical protein	0.0036	0.0375	0.1082
Echinococcus multilocularis	mitogen activated protein kinase	0.0051	0.0592	0.0592
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0017	0.0117	0.0504
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0066	0.0795	0.2544
Plasmodium vivax	glutathione reductase, putative	0.005	0.0571	0.1272
Toxoplasma gondii	NADPH-glutathione reductase	0.0017	0.0117	0.0504
Schistosoma mansoni	glucose transport protein	0.012	0.1549	0.1515
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0086	0.0274
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0241	0.3627
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0375	0.0375
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0241	0.1324
Mycobacterium tuberculosis	Probable oxidoreductase	0.0127	0.1636	0.3834
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0592	0.3651
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0311	0.4201	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0266	0.0852
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0117	0.138
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0117	0.138
Brugia malayi	Sugar transporter family protein	0.012	0.1549	0.4887
Schistosoma mansoni	sugar transporter	0.0012	0.0041	0.0001
Schistosoma mansoni	hypothetical protein	0.0066	0.0795	0.0758
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0592	0.3651
Schistosoma mansoni	glucose transporter	0.0012	0.0041	0.0001
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.012	0.1549	0.1549
Schistosoma mansoni	hypothetical protein	0.0066	0.0795	0.0758
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0012	0.0041	0.0041
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0592	0.3651
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0051	0.0592	0.0592
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.072	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Trypanosoma brucei	protein kinase, putative	0.0051	0.0592	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0012	0.0041	0.0132
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0311	0.4201	1
Echinococcus granulosus	tumor protein p63	0.0357	0.4834	0.4834
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.012	0.1549	0.1549
Brugia malayi	hypothetical protein	0.0026	0.0241	0.0647
Brugia malayi	follicle stimulating hormone receptor	0.0234	0.3126	1
Treponema pallidum	NADH oxidase	0.0017	0.0117	0.5
Echinococcus multilocularis	lamin dm0	0.0028	0.0266	0.0266
Leishmania major	trypanothione reductase	0.005	0.0571	0.9615
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Schistosoma mansoni	hypothetical protein	0.0169	0.2223	0.2191
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0592	0.0554
Entamoeba histolytica	fatty acid elongase, putative	0.004	0.0438	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0066	0.0795	0.2444
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0311	0.4201	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0117	0.138
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0066	0.0795	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0058	0.0185
Schistosoma mansoni	glucose transport protein	0.012	0.1549	0.1515
Echinococcus granulosus	General substrate transporter	0.0108	0.1384	0.1384
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1969	0.6298
Brugia malayi	latrophilin 2 splice variant baaae	0.0143	0.1861	0.5899
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0041	0.0132
Brugia malayi	hypothetical protein	0.0017	0.0112	0.0229
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0013	0.0054	0.0039
Echinococcus multilocularis	solute carrier family 22	0.0012	0.0041	0.0041
Schistosoma mansoni	hypothetical protein	0.012	0.1549	0.1515
Entamoeba histolytica	fatty acid elongase, putative	0.004	0.0438	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0241	0.3627
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0012	0.0041	0.0001
Toxoplasma gondii	facilitative glucose transporter GT1	0.012	0.1549	1
Echinococcus granulosus	solute carrier family 22	0.0012	0.0041	0.0041
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0266	0.0852
Loa Loa (eye worm)	hypothetical protein	0.0209	0.2779	0.8891
Brugia malayi	MAP kinase sur-1	0.0051	0.0592	0.1784
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0117	0.138
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0117	0.138
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0086	0.0143
Echinococcus multilocularis	solute carrier family 22	0.0012	0.0041	0.0041
Onchocerca volvulus		0.0028	0.0266	0.1168
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.012	0.1549	0.1549
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0066	0.0795	0.0795
Echinococcus granulosus	lamin	0.0028	0.0266	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0603	0.1927
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0051	0.0592	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0017	0.0117	0.0183
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0209	0.2779	0.8876
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0058	0.0185
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0012	0.0041	0.0132
Echinococcus granulosus	geminin	0.0169	0.2223	0.2223
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0311	0.4201	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0114	0.1459	0.3409
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0117	0.0117
Schistosoma mansoni	glucose transport protein	0.012	0.1549	0.1515
Echinococcus granulosus	mitogen activated protein kinase	0.0051	0.0592	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0065	0.0208
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0266	0.0227
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0065	0.0065
Echinococcus granulosus	solute carrier family 22	0.0012	0.0041	0.0041
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0114	0.1459	0.3409
Schistosoma mansoni	microtubule-associated protein tau	0.0728	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 11452 nM	ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
IC50 (functional)	= 16313 nM	ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
IC50 (functional)	> 23000 nM	ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 0 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 0.58 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 6.4 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 34.19 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 78 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 88 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 4.41	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -5 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= -1 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 78 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 88 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 5.91	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 1.23696 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL527419
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 592156