TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 397.511 | Formula: C23H31N3O3
H donors: 0 H acceptors: 2 LogP: 3.18 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)N(Cc1ccccn1)C
InChi: 1S/C23H31N3O3/c1-17(2)26-13-10-20(11-14-26)29-22-15-18(8-9-21(22)28-4)23(27)25(3)16-19-7-5-6-12-24-19/h5-9,12,15,17,20H,10-11,13-14,16H2,1-4H3
InChiKey: CPSHDSRNSLIUIC-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Brugia malayi	Thioredoxin 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
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	thioredoxin 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 falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	thioredoxin reductase	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
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	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
Leishmania donovani	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
Plasmodium berghei	glutathione reductase, putative	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 falciparum	glutathione reductase	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
Theileria parva	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
Leishmania mexicana	trypanothione 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
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei	trypanothione reductase	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
Echinococcus multilocularis	thioredoxin glutathione reductase	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
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	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
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	glutathione 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
Cryptosporidium parvum	thioredoxin reductase 1	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 brucei gambiense	trypanothione 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
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Plasmodium berghei	thioredoxin 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
Neospora caninum	hypothetical protein	Thioredoxin reductase 1, cytoplasmic	499 aa	448 aa	27.0 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Neospora caninum	glutathione reductase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	492 aa	32.7 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	539 aa	22.3 %
Plasmodium falciparum	glutathione reductase	Thioredoxin reductase 1, cytoplasmic	499 aa	500 aa	32.2 %
Leishmania mexicana	acetoin dehydrogenase e3 component-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	499 aa	24.4 %
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	489 aa	22.9 %
Plasmodium falciparum	thioredoxin reductase	Thioredoxin reductase 1, cytoplasmic	499 aa	511 aa	45.2 %
Leishmania infantum	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	466 aa	20.6 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	Thioredoxin reductase 1, cytoplasmic	499 aa	465 aa	27.3 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	518 aa	24.9 %
Trypanosoma congolense	dihydrolipoamide dehydrogenase, point mutation, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	489 aa	22.7 %
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	483 aa	23.0 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	460 aa	25.4 %
Trypanosoma congolense	dihydrolipoamide dehydrogenase, point mutation	Thioredoxin reductase 1, cytoplasmic	499 aa	489 aa	22.3 %
Leishmania braziliensis	dihydrolipoamide dehydrogenase	Thioredoxin reductase 1, cytoplasmic	499 aa	488 aa	21.9 %
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	Thioredoxin reductase 1, cytoplasmic	499 aa	490 aa	23.5 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin reductase 1, cytoplasmic	499 aa	540 aa	23.3 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin reductase 1, cytoplasmic	499 aa	465 aa	27.5 %
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	483 aa	23.0 %
Leishmania donovani	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	466 aa	20.6 %
Leishmania infantum	acetoin dehydrogenase e3 component-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	497 aa	24.1 %
Trypanosoma congolense	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	492 aa	23.2 %
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	489 aa	22.7 %
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin reductase 1, cytoplasmic	499 aa	529 aa	31.8 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	519 aa	23.7 %
Leishmania braziliensis	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	450 aa	25.6 %
Trypanosoma brucei gambiense	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	491 aa	23.6 %
Trypanosoma congolense	dihydrolipoamide dehydrogenase, point mutation	Thioredoxin reductase 1, cytoplasmic	499 aa	489 aa	22.5 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, mitochondrial, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	462 aa	25.8 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, mitochondrial, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	465 aa	26.9 %
Leishmania braziliensis	acetoin dehydrogenase e3 component-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	499 aa	22.8 %
Trypanosoma brucei gambiense	dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	491 aa	23.2 %
Trypanosoma congolense	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	492 aa	23.2 %
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	Thioredoxin reductase 1, cytoplasmic	499 aa	448 aa	27.2 %
Leishmania mexicana	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	452 aa	25.7 %
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	454 aa	25.3 %
Leishmania donovani	acetoin dehydrogenase e3 component-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	497 aa	24.1 %
Trypanosoma brucei	dihydrolipoamide dehydrogenase	Thioredoxin reductase 1, cytoplasmic	499 aa	492 aa	23.4 %
Onchocerca volvulus		Thioredoxin reductase 1, cytoplasmic	499 aa	499 aa	57.3 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	Thioredoxin reductase 1, cytoplasmic	499 aa	506 aa	23.7 %
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin reductase 1, cytoplasmic	499 aa	464 aa	24.8 %
Leishmania major	acetoin dehydrogenase e3 component-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	497 aa	24.1 %
Trypanosoma brucei gambiense	dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	490 aa	23.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0057	0.254	0.2583
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.002	0.0313	0.0133
Toxoplasma gondii	phosphofructokinase PFKII	0.0029	0.0866	0.2714
Leishmania major	trypanothione reductase	0.0057	0.254	0.4328
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.555	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0145	0.7773	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.002	0.0313	0.0307
Brugia malayi	6-phosphofructokinase	0.0108	0.555	0.698
Echinococcus multilocularis	muscleblind protein	0.0148	0.7952	0.8668
Leishmania major	ATP-dependent phosphofructokinase	0.0108	0.555	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.002	0.0313	0.0133
Plasmodium vivax	thioredoxin reductase, putative	0.0057	0.254	1
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.0866	0.2714
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0866	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.002	0.0313	1
Schistosoma mansoni	6-phosphofructokinase	0.0108	0.555	0.544
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.002	0.0313	0.0133
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.002	0.0313	0.0133
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.002	0.0313	0.0133
Loa Loa (eye worm)	glutathione reductase	0.0057	0.254	0.298
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0145	0.7773	1
Mycobacterium tuberculosis	Probable reductase	0.013	0.6906	0.8848
Treponema pallidum	NADH oxidase	0.002	0.0313	0.0133
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0866	0.1175
Giardia lamblia	NADH oxidase lateral transfer candidate	0.002	0.0313	0.113
Plasmodium falciparum	thioredoxin reductase	0.002	0.0313	0.0307
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.555	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0057	0.254	0.2583
Toxoplasma gondii	NADPH-glutathione reductase	0.002	0.0313	0.0307
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0866	0.1175
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.002	0.0313	0.0307
Mycobacterium tuberculosis	Probable oxidoreductase	0.0145	0.7773	1
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0108	0.555	0.7048
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.002	0.0313	0.0307
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.555	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.002	0.0313	0.0133
Brugia malayi	glutathione reductase	0.0057	0.254	0.3194
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0866	0.1175
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.555	1
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0029	0.0866	1
Trypanosoma brucei	trypanothione reductase	0.0057	0.254	0.4328
Echinococcus multilocularis	muscleblind protein 1	0.0148	0.7952	0.8668
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.7736	0.972
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.555	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0866	0.1175
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0866	0.1175
Toxoplasma gondii	6-phosphofructokinase	0.0029	0.0866	0.2714
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.0866	0.2714
Echinococcus multilocularis	geminin	0.0168	0.9137	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.013	0.6906	0.8848
Brugia malayi	Thioredoxin reductase	0.0057	0.254	0.3194
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0029	0.0866	0.1175
Echinococcus granulosus	muscleblind protein	0.0148	0.7952	0.8668
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.002	0.0313	0.0394
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0866	1
Mycobacterium ulcerans	6-phosphofructokinase	0.0108	0.555	1
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0029	0.0866	0.2714
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.0866	0.2714
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.013	0.6906	0.8848
Trichomonas vaginalis	glutathione reductase, putative	0.002	0.0313	0.0133
Echinococcus granulosus	6 phosphofructokinase	0.0108	0.555	0.5967
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0029	0.0866	0.1175
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.002	0.0313	0.0072
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.002	0.0313	0.0079
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0108	0.555	1
Echinococcus granulosus	geminin	0.0168	0.9137	1
Plasmodium falciparum	glutathione reductase	0.0057	0.254	1
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0029	0.0866	0.1175
Brugia malayi	phosphofructokinase	0.0108	0.555	0.698
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.002	0.0313	0.0133
Loa Loa (eye worm)	phosphofructokinase	0.0108	0.555	0.6884
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.002	0.0313	0.0133
Brugia malayi	Muscleblind-like protein	0.0148	0.7952	1
Loa Loa (eye worm)	thioredoxin reductase	0.0057	0.254	0.298
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.013	0.6906	0.8848
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.013	0.6906	0.8848
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.002	0.0313	0.0133
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.555	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.002	0.0313	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.002	0.0313	0.0133
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0866	0.1175
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.002	0.0313	0.0079
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0057	0.254	0.3051
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.013	0.6906	0.6098
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.0866	0.2714
Plasmodium vivax	glutathione reductase, putative	0.0057	0.254	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.002	0.0313	0.0133
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0108	0.555	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0145	0.7773	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.002	0.0313	0.0307
Brugia malayi	6-phosphofructokinase	0.0108	0.555	0.698
Schistosoma mansoni	6-phosphofructokinase	0.0108	0.555	0.544
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.555	1
Plasmodium falciparum	glutathione reductase	0.002	0.0313	0.0307
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.7736	0.972
Loa Loa (eye worm)	6-phosphofructokinase	0.0108	0.555	0.6884
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.002	0.0313	0.0133
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.002	0.0313	0.0133
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0108	0.555	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.002	0.0313	0.0133
Brugia malayi	MH2 domain containing protein	0.0144	0.7736	0.9728
Loa Loa (eye worm)	hypothetical protein	0.0148	0.7952	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.002	0.0313	0.0133
Trichomonas vaginalis	mercuric reductase, putative	0.002	0.0313	0.0133
Trypanosoma cruzi	trypanothione reductase, putative	0.0057	0.254	0.4328
Loa Loa (eye worm)	6-phosphofructokinase	0.0108	0.555	0.6884
Echinococcus multilocularis	6 phosphofructokinase	0.0108	0.555	0.5967
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0243	0.0306
Plasmodium falciparum	thioredoxin reductase	0.0057	0.254	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.002	0.0313	0.0307
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.013	0.6906	0.8848
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.002	0.0313	0.0133
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.002	0.0313	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0148	0.7952	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.002	0.0313	0.0133
Schistosoma mansoni	hypothetical protein	0.0168	0.9137	0.9116
Toxoplasma gondii	thioredoxin reductase	0.0057	0.254	1
Trypanosoma cruzi	trypanothione reductase, putative	0.002	0.0313	0.0133
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.002	0.0313	0.0133
Schistosoma mansoni	hypothetical protein	0.0168	0.9137	0.9116
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.002	0.0313	0.0094

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	3.5481 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)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (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

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: CHEMBL1573411

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1420473