TDR Targets

Basic information

Technical information

TDR Targets ID: 1406907
Name: S-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin -3-yl] ethanethioate
MW: 277.339 | Formula: C14H15NO3S
H donors: 0 H acceptors: 3 LogP: 1.99 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)SC1CC(=O)N(C1=O)c1c(C)cccc1C
InChi: 1S/C14H15NO3S/c1-8-5-4-6-9(2)13(8)15-12(17)7-11(14(15)18)19-10(3)16/h4-6,11H,7H2,1-3H3
InChiKey: OJPWCWXRSBYOJM-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

S-[1-(2,6-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl] ethanethioate
ethanethioic acid S-[[1-(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]] ester
ethanethioic acid S-[1-(2,6-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl] ester
1-(2,6-dimethylphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl ethanethioate
MLS000861818
SMR000460602
Maybridge3_005791
Oprea1_772904
IDI1_017178

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Schistosoma mansoni	Thioredoxin glutathione reductase	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania donovani	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	Glutathione reductase, related	Get druggable targets OG5_126785	All targets in OG5_126785
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Babesia bovis	thiodoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma congolense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania mexicana	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania major	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	Thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei gambiense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium parvum	thioredoxin reductase 1	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma cruzi	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	521 aa	21.5 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	518 aa	22.0 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	538 aa	25.3 %
Onchocerca volvulus		Thioredoxin glutathione reductase	598 aa	533 aa	50.8 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin glutathione reductase	598 aa	537 aa	24.2 %
Neospora caninum	glutathione reductase, putative	Thioredoxin glutathione reductase	598 aa	532 aa	34.6 %
Neospora caninum	hypothetical protein	Thioredoxin glutathione reductase	598 aa	485 aa	30.5 %
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin glutathione reductase	598 aa	512 aa	28.3 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	Thioredoxin glutathione reductase	598 aa	513 aa	25.0 %
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin glutathione reductase	598 aa	555 aa	33.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.6384	0.8837
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0072	0.4193	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0072	0.4193	0.4169
Schistosoma mansoni	phospholipase C beta	0.0037	0.1759	0.1726
Loa Loa (eye worm)	hypothetical protein	0.005	0.2639	0.2609
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0047	0.247	0.244
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0047	0.247	0.5587
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0047	0.247	0.5587
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0072	0.4193	0.4358
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0047	0.2467	0.5578
Plasmodium falciparum	thioredoxin reductase	0.0046	0.2348	0.5275
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1825	0.1792
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0072	0.4193	1
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0047	0.247	0.244
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0116	0.722	0.7209
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0025	0.092	0.1616
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0047	0.2467	0.5578
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.7186	1
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0072	0.4193	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0047	0.247	0.244
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.2348	0.2318
Onchocerca volvulus		0.0038	0.1825	1
Onchocerca volvulus		0.0038	0.1825	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Brugia malayi	steroid hormone receptor	0.0012	0.004	0.004
Leishmania major	phosphoinositide-specific phospholipase C, putative	0.0016	0.0296	0.0015
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0047	0.2468	0.558
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.004	0.004
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.6384	0.872
Plasmodium falciparum	histone acetyltransferase GCN5	0.0042	0.2075	0.4574
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.004	0.004
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.2194	0.2163
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.6384	0.8837
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0072	0.4193	1
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0072	0.4193	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.6384	0.8837
Echinococcus granulosus	CREB binding protein	0.0018	0.0422	0.0401
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.2391	0.236
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0072	0.4193	1
Brugia malayi	glyceraldehyde 3-phosphate dehydrogenase	0.0022	0.0745	0.0745
Echinococcus granulosus	1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4	0.0038	0.1825	0.1873
Giardia lamblia	Histone acetyltransferase GCN5	0.0042	0.2075	0.4574
Mycobacterium tuberculosis	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0025	0.0923	0.0918
Trypanosoma brucei	trypanothione reductase	0.0046	0.2348	0.5275
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.004	0.004
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0047	0.2421	0.2391
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.004	0.004
Plasmodium falciparum	SUMO-activating enzyme subunit 1	0.005	0.2639	0.6018
Entamoeba histolytica	hypothetical protein	0.0043	0.2194	0.0564
Brugia malayi	nuclear receptor NHR-88	0.0012	0.004	0.004
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.2348	0.5275
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.004	0.004
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.004	0.004
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0047	0.247	0.255
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.7186	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1825	0.1792
Toxoplasma gondii	thioredoxin reductase	0.0046	0.2348	0.5275
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0072	0.4193	0.4169
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0072	0.4193	0.4169
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0072	0.4193	0.4193
Brugia malayi	Variant SH3 domain containing protein	0.0116	0.722	0.722
Loa Loa (eye worm)	hypothetical protein	0.0051	0.2702	0.2672
Trypanosoma brucei	phosphoinositide-specific phospholipase C	0.0017	0.0362	0.0184
Mycobacterium tuberculosis	Probable reductase	0.0104	0.6384	0.8837
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0047	0.2467	0.5578
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.029	0.0262
Loa Loa (eye worm)	glutathione reductase	0.0046	0.2348	0.2318
Schistosoma mansoni	hypothetical protein	0.0043	0.2194	0.2163
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.004	0.004
Brugia malayi	phospholipase C homolog	0.0028	0.1124	0.1124
Plasmodium vivax	ubiquitin activating enzyme, putative	0.005	0.2639	0.6018
Plasmodium falciparum	glutathione reductase	0.0046	0.2348	0.5275
Echinococcus multilocularis	SUMO activating enzyme subunit 1	0.005	0.2639	0.2609
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0072	0.4193	0.4169
Schistosoma mansoni	CREB-binding protein 2	0.0112	0.6922	0.691
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0072	0.4193	1
Loa Loa (eye worm)	phosphatidylinositol-specific phospholipase C	0.0017	0.0362	0.0323
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0072	0.4193	1
Schistosoma mansoni	phospholipase C-like protein 2 plc-L2	0.0028	0.1124	0.1088
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.004	0.004
Plasmodium vivax	glutathione reductase, putative	0.0046	0.2348	0.5275
Brugia malayi	Thioredoxin reductase	0.0046	0.2348	0.2348
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0072	0.4193	1
Toxoplasma gondii	hypothetical protein	0.005	0.2639	0.6018
Brugia malayi	Phosphatidylinositol-specific phospholipase C, X domain containing protein	0.0016	0.0296	0.0296
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.004	0.004
Brugia malayi	ecdysteroid receptor	0.0012	0.004	0.004
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0047	0.2467	0.5578
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0025	0.092	0.092
Echinococcus granulosus	CREB binding protein	0.0112	0.6922	0.7222
Loa Loa (eye worm)	Plcb4 protein	0.0037	0.1759	0.1726
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0022	0.0745	0.1167
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.0022	0.0745	0.1167
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0072	0.4193	0.4169
Brugia malayi	nuclear hormone receptor	0.0012	0.004	0.004
Echinococcus granulosus	histone acetyltransferase KAT2B	0.015	0.957	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.7186	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.7186	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.2348	0.2985
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0022	0.0745	0.1167
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0072	0.4193	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.2194	0.2261
Plasmodium falciparum	phosphoinositide-specific phospholipase C	0.0016	0.0296	0.0015
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0072	0.4193	1
Brugia malayi	Phosphatidylinositol-specific phospholipase C, X domain containing protein	0.0017	0.0362	0.0362
Echinococcus multilocularis	CREB binding protein	0.0018	0.0422	0.0383
Echinococcus multilocularis	1 phosphatidylinositol 4,5 bisphosphate	0.0038	0.1825	0.1792
Loa Loa (eye worm)	CBP-B	0.0079	0.4642	0.4621
Brugia malayi	glutathione reductase	0.0046	0.2348	0.2348
Echinococcus granulosus	CREB binding protein	0.0071	0.4062	0.4221
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.0022	0.0745	0.1167
Echinococcus multilocularis	CREB binding protein	0.0018	0.0422	0.0383
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.004	0.004
Entamoeba histolytica	hypothetical protein	0.0043	0.2194	0.0564
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.005	0.2645	0.2616
Entamoeba histolytica	hypothetical protein	0.0043	0.2194	0.0564
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.2194	0.2163
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.029	0.029
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0112	0.6922	0.691
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.0047	0.2468	0.558
Echinococcus multilocularis	CREB binding protein	0.0018	0.0422	0.0383
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0072	0.4193	0.4169
Loa Loa (eye worm)	hypothetical protein	0.0047	0.247	0.244
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.004	0.004
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.004	0.004
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.6384	0.8837
Plasmodium vivax	phospholipase C-like, putative	0.0016	0.0296	0.0015
Entamoeba histolytica	hypothetical protein	0.0043	0.2194	0.0564
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0047	0.2467	0.5578
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0047	0.2467	0.2547
Toxoplasma gondii	phosphoinositide phospholipase PIPLC	0.0017	0.0362	0.0184
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0072	0.4193	1
Brugia malayi	ThiF family protein	0.005	0.2639	0.2639
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.004	0.004
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.005	0.2639	0.2609
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.029	0.0251
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0072	0.4193	1
Echinococcus granulosus	CREB binding protein	0.0018	0.0422	0.0401
Echinococcus granulosus	SUMO activating enzyme subunit 1	0.005	0.2639	0.2727
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.2391	0.2467
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0296	0.0257
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.2348	0.5275
Leishmania major	phosphatidylinositol-specific phospholipase-like protein	0.0016	0.0296	0.0015
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0072	0.4193	1
Brugia malayi	TAZ zinc finger family protein	0.0112	0.6922	0.6922
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.6384	0.8837
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0047	0.2468	0.558
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0072	0.4193	1
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.004	0.004
Leishmania major	trypanothione reductase	0.0046	0.2348	0.5275
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0072	0.4193	1
Leishmania major	phospholipase c-like protein	0.0017	0.0362	0.0184
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.004	0.004
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0047	0.2468	0.558
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0072	0.4193	1
Trypanosoma cruzi	phosphoinositide-specific phospholipase C, putative	0.0017	0.0362	0.0184
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.005	0.2645	0.2616
Brugia malayi	1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4	0.0037	0.1759	0.1759
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.004	0.004
Echinococcus multilocularis	CREB binding protein	0.0078	0.4577	0.4556
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.029	0.0251
Brugia malayi	hypothetical protein	0.0043	0.2194	0.2194
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0072	0.4193	0.4358
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0022	0.0745	0.1167
Trypanosoma brucei	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0047	0.2468	0.558

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5805 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	1.8526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	3.5481 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL1544514

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1406907