TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 540.631 | Formula: C27H32N4O6S
H donors: 4 H acceptors: 6 LogP: 0.17 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CS(=O)(=O)O.COc1ccc2c(c1)c(ccn2)[C@H](CN1CCC(CC1)NC(=O)c1cc2c([nH]1)cccc2)O
InChi: 1S/C26H28N4O3.CH4O3S/c1-33-19-6-7-23-21(15-19)20(8-11-27-23)25(31)16-30-12-9-18(10-13-30)28-26(32)24-14-17-4-2-3-5-22(17)29-24;1-5(2,3)4/h2-8,11,14-15,18,25,29,31H,9-10,12-13,16H2,1H3,(H,28,32);1H3,(H,2,3,4)/t25-;/m0./s1
InChiKey: SMBALYXKAAPWIJ-UQIIZPHYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Schistosoma mansoni	coup transcription factor	0.0014	0.0189	0.0189
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0014	0.0189	0.0189
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0014	0.0189	0.0189
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.1306	0.1306
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0014	0.0189	0.0189
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.1306	0.1306
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0014	0.0189	0.056
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0126	0.3381	0.3381
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0036	0.0829	0.1165
Loa Loa (eye worm)	steroid hormone receptor	0.0014	0.0189	0.0189
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0126	0.3381	1
Trypanosoma cruzi	aldo-keto reductase	0.0126	0.3381	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0189	0.0189
Loa Loa (eye worm)	oxidoreductase	0.0126	0.3381	0.3381
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0014	0.0189	0.0189
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0036	0.0829	0.1165
Onchocerca volvulus		0.0126	0.3381	1
Schistosoma mansoni	aldo-keto reductase	0.0126	0.3381	0.3381
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0014	0.0189	0.0189
Schistosoma mansoni	importin beta-1	0.0033	0.0745	0.0745
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0014	0.0189	0.0189
Echinococcus granulosus	FTZ F1 alpha	0.0014	0.0189	0.0189
Brugia malayi	ecdysteroid receptor	0.0014	0.0189	0.056
Entamoeba histolytica	hypothetical protein	0.0027	0.0564	0.0248
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0126	0.3381	0.3381
Echinococcus granulosus	mitogen activated protein kinase 3	0.0059	0.1479	0.1479
Schistosoma mansoni	nuclear hormone receptor	0.0014	0.0189	0.0189
Echinococcus granulosus	voltage gated potassium channel subunit	0.0036	0.0829	0.0829
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0745	0.0874
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0014	0.0189	0.0189
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0564	0.0248
Onchocerca volvulus		0.0126	0.3381	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.3381	0.3381
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.1306	0.1306
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0126	0.3381	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0059	0.1479	0.3415
Loa Loa (eye worm)	oxidoreductase	0.0126	0.3381	0.3381
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0564	0.0248
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0036	0.0829	0.0829
Schistosoma mansoni	thyroid hormone receptor	0.0014	0.0189	0.0189
Onchocerca volvulus		0.0126	0.3381	1
Echinococcus multilocularis	aldo keto reductase	0.0126	0.3381	0.3381
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.1306	0.1306
Echinococcus multilocularis	aldo keto reductase	0.0126	0.3381	0.3381
Echinococcus multilocularis	mitogen activated protein kinase	0.0059	0.1479	0.1479
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0126	0.3381	0.3381
Trichomonas vaginalis	aldo/keto reductase, putative	0.0126	0.3381	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0014	0.0189	0.0189
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0014	0.0189	0.0189
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0014	0.0189	0.056
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0014	0.0189	0.0189
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0126	0.3381	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0014	0.0189	0.0189
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0014	0.0189	0.056
Schistosoma mansoni	thyroid hormone receptor	0.0014	0.0189	0.0189
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0745	0.0874
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0189	0.0189
Brugia malayi	nuclear hormone receptor	0.0014	0.0189	0.056
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0014	0.0189	0.056
Schistosoma mansoni	aldo-keto reductase	0.0126	0.3381	0.3381
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0126	0.3381	0.3381
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0014	0.0189	0.0189
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0745	0.0874
Entamoeba histolytica	aldose reductase, putative	0.0126	0.3381	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0014	0.0189	0.0189
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Brugia malayi	MAP kinase sur-1	0.0059	0.1479	0.4373
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0014	0.0189	0.0189
Trichomonas vaginalis	aldo-keto reductase, putative	0.0036	0.0829	0.1165
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Brugia malayi	nuclear receptor NHR-88	0.0014	0.0189	0.056
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0126	0.3381	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0014	0.0189	0.0189
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.1479	0.3415
Echinococcus granulosus	mitogen activated protein kinase	0.0059	0.1479	0.1479
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0357	1	1
Onchocerca volvulus		0.0126	0.3381	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0014	0.0189	0.0189
Giardia lamblia	Kinase, CMGC MAPK	0.0059	0.1479	0.3415
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0025	0.0492	0.0492
Trichomonas vaginalis	aldo/keto reductase, putative	0.0126	0.3381	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0036	0.0829	0.0829
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0014	0.0189	0.056
Trypanosoma cruzi	aldo/keto reductase, putative	0.0036	0.0829	0.1165
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0059	0.1479	0.3415
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0189	0.056
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0014	0.0189	0.0189
Schistosoma mansoni	hypothetical protein	0.0357	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0189	0.0189
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.1479	0.3415
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1306	0.1306
Echinococcus multilocularis	aldo keto reductase	0.0126	0.3381	0.3381
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.1306	0.1306
Echinococcus multilocularis	snurportin 1	0.0357	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0014	0.0189	0.0189
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.1479	0.3415
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0014	0.0189	0.0189
Schistosoma mansoni	potassium channel beta	0.0036	0.0829	0.0829
Trypanosoma brucei	aldo/keto reductase, putative	0.0036	0.0829	0.1165
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0829	0.1165
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0014	0.0189	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0189	0.0189
Brugia malayi	RNA, U transporter 1	0.0095	0.2508	0.7419
Onchocerca volvulus		0.0126	0.3381	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0025	0.0492	0.1456
Mycobacterium leprae	Conserved hypothetical protein	0.0089	0.234	0.5922
Schistosoma mansoni	pol-related	0.0126	0.3381	0.3381
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0126	0.3381	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0126	0.3381	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0059	0.1479	0.3415
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0126	0.3381	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0014	0.0189	0.0189
Brugia malayi	Steroid receptor seven-up type 2	0.0014	0.0189	0.056
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0036	0.0829	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0036	0.0829	0.1165
Leishmania major	aldo-keto reductase-like protein	0.0126	0.3381	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0126	0.3381	1
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0745	0.7502
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0126	0.3381	0.3381
Trypanosoma brucei	protein kinase, putative	0.0059	0.1479	0.3415
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0036	0.0829	0.1165
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.1479	0.3415
Plasmodium falciparum	aldo-keto reductase, putative	0.0036	0.0829	1
Onchocerca volvulus		0.0126	0.3381	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0036	0.0829	0.1165
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Brugia malayi	steroid hormone receptor	0.0014	0.0189	0.056
Entamoeba histolytica	aldose reductase, putative	0.0126	0.3381	1
Trypanosoma brucei	prostaglandin f synthase	0.0126	0.3381	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0059	0.1479	0.3415
Trypanosoma cruzi	aldo/keto reductase, putative	0.0126	0.3381	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0014	0.0189	0.0189
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0014	0.0189	0.056
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0059	0.1479	0.3415
Schistosoma mansoni	retinoic acid receptor RXR	0.0014	0.0189	0.0189
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0014	0.0189	0.056
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0036	0.0829	0.0829
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0745	0.0745
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0126	0.3381	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1306	0.1306
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0564	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0189	0.0189
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0014	0.0189	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0745	0.0745
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Echinococcus multilocularis	FTZ F1 alpha	0.0014	0.0189	0.0189
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0014	0.0189	0.0189
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0564	0.0248
Loa Loa (eye worm)	oxidoreductase	0.0126	0.3381	0.3381
Loa Loa (eye worm)	oxidoreductase	0.0126	0.3381	0.3381
Loa Loa (eye worm)	oxidoreductase	0.0126	0.3381	0.3381
Plasmodium vivax	aldehyde reductase, putative	0.0036	0.0829	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0126	0.3381	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0189	0.0189
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0126	0.3381	0.3381
Mycobacterium ulcerans	oxidoreductase	0.0126	0.3381	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0014	0.0189	0.056
Echinococcus multilocularis	aldo keto reductase	0.0126	0.3381	0.3381
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0014	0.0189	0.0189
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Brugia malayi	Importin beta-1 subunit	0.0033	0.0745	0.2203
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0745	0.0745
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0014	0.0189	0.0189
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Echinococcus granulosus	aldo keto reductase	0.0126	0.3381	0.3381
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0025	0.0492	0.0492
Plasmodium falciparum	aldehyde reductase, putative	0.0036	0.0829	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0059	0.1479	0.3415
Echinococcus granulosus	aldo keto reductase	0.0126	0.3381	0.3381
Trypanosoma brucei	aldo-keto reductase, putative	0.0126	0.3381	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0025	0.0492	0.0492
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0014	0.0189	0.0189
Leishmania major	prostaglandin f synthase, putative	0.0126	0.3381	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0126	0.3381	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0014	0.0189	0.056
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0036	0.0829	0.1165
Echinococcus multilocularis	ecdysone induced protein 78C	0.0014	0.0189	0.0189
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Schistosoma mansoni	serine/threonine protein kinase	0.0059	0.1479	0.1479
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Plasmodium falciparum	importin beta, putative	0.0033	0.0745	0.7502
Schistosoma mansoni	ran	0.0025	0.0492	0.0492
Echinococcus granulosus	hypothetical protein	0.0126	0.3381	0.3381
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.1306	0.3862
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0014	0.0189	0.0189
Echinococcus multilocularis	aldehyde reductase	0.0089	0.234	0.234
Giardia lamblia	Aldose reductase	0.0126	0.3381	1
Toxoplasma gondii	aldose reductase, putative	0.0126	0.3381	1
Toxoplasma gondii	aldo-keto reductase	0.0036	0.0829	0.1165
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0126	0.3381	0.3381
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0126	0.3381	0.3381
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0014	0.0189	0.056
Brugia malayi	photoreceptor-specific nuclear receptor	0.0014	0.0189	0.056
Brugia malayi	NADH-dependent xylose reductase	0.0036	0.0829	0.2451
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0126	0.3381	0.3381
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0059	0.1479	0.3415
Mycobacterium tuberculosis	Probable oxidoreductase	0.0126	0.3381	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0126	0.3381	0.3381
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0014	0.0189	0.0189
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0036	0.0829	0.1165
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0014	0.0189	0.056
Trichomonas vaginalis	aldo-keto reductase, putative	0.0126	0.3381	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0189	0.0189
Echinococcus granulosus	aldehyde reductase	0.0089	0.234	0.234
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0564	0.0248
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0059	0.1479	0.3415
Onchocerca volvulus		0.0036	0.0829	0.2004
Entamoeba histolytica	aldose reductase, putative	0.0126	0.3381	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1306	0.1306
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0036	0.0829	0.2451
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0059	0.1479	0.1479
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0189	0.0189
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0014	0.0189	0.056
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0014	0.0189	0.0189
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0059	0.1479	0.1479
Echinococcus granulosus	aldo keto reductase	0.0126	0.3381	0.3381
Schistosoma mansoni	ran	0.0025	0.0492	0.0492
Giardia lamblia	Aldose reductase	0.0126	0.3381	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0036	0.0829	0.1165
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0014	0.0189	0.056

Activities

Activity type	Activity value	Assay description	Source	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)	= 19 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 36.02 %	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)	= 38.72 %	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)	= 55 %	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)	= 55.71 %	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)	= 96 %	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)	= 2.21	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -3 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 19 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 55 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 96 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.01	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.96892 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: CHEMBL546948
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 597810