TDR Targets

Basic information

Technical information

TDR Targets ID: 80121
Name: 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-di one
MW: 341.363 | Formula: C21H15N3O2
H donors: 2 H acceptors: 2 LogP: 3.01 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N(C)C(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
InChi: 1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
InChiKey: SWAWYMIKGOHZMR-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

3,4-bis(1H-indol-3-yl)-1-methyl-pyrrole-2,5-dione
3,4-bis(1H-indol-3-yl)-1-methyl-3-pyrroline-2,5-quinone
bisindolylmaleimide V
Ro 31-6045
113963-68-1
N-Methyl-3,4-bis(indol-3-yl)maleimide
HSCI1_000201
1H-Pyrrole-2,5-dione, 3,4-di-1H-indol-3-yl-1-methyl-
1-Methyl-3,4-bis(indol-3-yl)maleimide
Bisindolylmaleimide deriv. 4
2,3-bis(1H-Indol-3-yl)-N-methylmaleimide
N-Methylbis(indol-3-yl)maleimide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Trypanosoma cruzi	trypanothione reductase, putative	Curated by TDR Targets	References
Homo sapiens	sirtuin 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	Get druggable targets OG5_129944	All targets in OG5_129944
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma mansoni	chromatin regulatory protein sir2	Get druggable targets OG5_129944	All targets in OG5_129944
Trypanosoma congolense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	Get druggable targets OG5_129944	All targets in OG5_129944
Plasmodium vivax	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	Get druggable targets OG5_129944	All targets in OG5_129944
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	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
Brugia malayi	Thioredoxin 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
Echinococcus granulosus	thioredoxin glutathione 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
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	Get druggable targets OG5_129944	All targets in OG5_129944
Leishmania major	trypanothione reductase	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
Trypanosoma brucei gambiense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	one of two genes similar to S. cerevisiae SIR2 (YDL042C) NAD+-dependent histone deacetylase	Get druggable targets OG5_129944	All targets in OG5_129944
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	expressed protein	Get druggable targets OG5_129944	All targets in OG5_129944
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	one of two genes similar to S. cerevisiae SIR2 (YDL042C) NAD+-dependent histone deacetylase	Get druggable targets OG5_129944	All targets in OG5_129944
Giardia lamblia	NAD-dependent histone deacetylase Sir2	Get druggable targets OG5_129944	All targets in OG5_129944
Brugia malayi	NAD-dependent deacetylase SIRT1	Get druggable targets OG5_129944	All targets in OG5_129944
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129944	All targets in OG5_129944
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	Get druggable targets OG5_129944	All targets in OG5_129944
Leishmania donovani	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
Loa Loa (eye worm)	thioredoxin 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
Plasmodium knowlesi	thioredoxin 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
Echinococcus multilocularis	thioredoxin glutathione 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 falciparum	glutathione reductase	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
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K01463 sirtuin 1 (silent mating type information regulation 2, homolog) 1 [EC:3.5.1.-], putative	Get druggable targets OG5_129944	All targets in OG5_129944
Plasmodium falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129944	All targets in OG5_129944
Plasmodium vivax	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	Get druggable targets OG5_129944	All targets in OG5_129944
Plasmodium berghei	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	thioredoxin reductase	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
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	trypanothione reductase, putative	492 aa	548 aa	21.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	DNA polymerase IV, putative	0.0087	0.2524	0.2772
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0706	0.0706
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.093	0.3292
Toxoplasma gondii	fructose-bisphosphate aldolase, putative	0.0095	0.2826	1
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0706	0.0706
Plasmodium falciparum	glutathione reductase	0.0026	0.0246	0.0869
Trichomonas vaginalis	glutathione reductase, putative	0.0026	0.0246	0.0246
Loa Loa (eye worm)	fructose-bisphosphate aldolase 1	0.0095	0.2826	0.2826
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.0151	0.4924	0.8374
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1354	0.1354
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0706	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0038	0.069	0.069
Schistosoma mansoni	glutaminase	0.0286	1	1
Trypanosoma brucei	squalene synthase, putative	0.0262	0.9107	1
Leishmania major	fructose-1,6-bisphosphate aldolase	0.0095	0.2826	0.3103
Plasmodium vivax	thioredoxin reductase, putative	0.0076	0.2114	0.7482
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0386	0.0386
Loa Loa (eye worm)	fructose-bisphosphate aldolase 2	0.0095	0.2826	0.2826
Schistosoma mansoni	intermediate filament proteins	0.003	0.039	0.039
Plasmodium falciparum	histone acetyltransferase GCN5	0.0041	0.0791	0.2798
Echinococcus multilocularis	thyroid hormone receptor alpha	0.003	0.0386	0.0656
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.003	0.0386	0.0386
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0026	0.0246	0.027
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0026	0.0246	0.0246
Schistosoma mansoni	coup transcription factor	0.003	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.003	0.0386	0.0386
Plasmodium vivax	glutathione reductase, putative	0.0076	0.2114	0.7482
Trypanosoma brucei	DNA polymerase kappa, putative	0.0066	0.173	0.1899
Brugia malayi	steroid hormone receptor	0.003	0.0386	0.0386
Schistosoma mansoni	lamin	0.003	0.039	0.039
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.003	0.0386	0.0386
Onchocerca volvulus	NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog	0.0082	0.2326	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0026	0.0246	0.027
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0045	0.0932	0.1093
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.003	0.0386	0.0656
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0026	0.0246	0.0418
Trichomonas vaginalis	glutaminase, putative	0.0286	1	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0026	0.0246	0.027
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0151	0.4924	0.4924
Trypanosoma brucei	DNA polymerase kappa, putative	0.0035	0.0575	0.0631
Brugia malayi	follicle stimulating hormone receptor	0.026	0.9009	0.9009
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.1354	0.1354
Echinococcus granulosus	dna polymerase eta	0.0031	0.0407	0.0692
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.003	0.0386	0.0386
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0706	0.0828
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0031	0.0407	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0706	0.0706
Echinococcus multilocularis	musashi	0.003	0.039	0.0664
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0706	0.0706
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0669	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2465	0.2465
Brugia malayi	NAD-dependent deacetylase SIRT1	0.0151	0.4924	0.4924
Echinococcus multilocularis	Squalene phytoene synthase	0.0082	0.2326	0.3955
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.026	0.9009	0.9009
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0152	0.4952	0.4952
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0706	0.0706
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.093	0.3292
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0706	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0026	0.0246	0.0246
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0031	0.0407	0.0692
Echinococcus multilocularis	FTZ F1 alpha	0.003	0.0386	0.0656
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0031	0.0407	0.0477
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.003	0.0386	0.0386
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0026	0.0246	0.0499
Plasmodium vivax	fructose 1,6-bisphosphate aldolase, putative	0.0095	0.2826	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.003	0.0386	0.0386
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0706	0.0828
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0031	0.0407	0.0692
Leishmania major	DNA polymerase kappa, putative	0.0045	0.0932	0.1024
Echinococcus granulosus	fructose 16 bisphosphate aldolase	0.0095	0.2826	0.4805
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0026	0.0246	0.027
Trypanosoma brucei	DNA polymerase kappa, putative	0.0035	0.0575	0.0631
Trypanosoma brucei	DNA polymerase kappa, putative	0.0066	0.173	0.1899
Loa Loa (eye worm)	hypothetical protein	0.003	0.039	0.039
Mycobacterium ulcerans	glutaminase	0.0286	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0088	0.2556	0.4346
Loa Loa (eye worm)	hypothetical protein	0.0131	0.4178	0.4178
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0246	0.027
Brugia malayi	photoreceptor-specific nuclear receptor	0.003	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0706	0.0706
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0031	0.0407	0.0407
Onchocerca volvulus		0.003	0.039	0.0024
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.0095	0.2826	0.3103
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0026	0.0246	0.0246
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.039	0.039
Loa Loa (eye worm)	hypothetical protein	0.003	0.0386	0.0386
Echinococcus multilocularis	fructose 1,6 bisphosphate aldolase	0.0095	0.2826	0.4805
Treponema pallidum	NADH oxidase	0.0026	0.0246	0.5
Loa Loa (eye worm)	thioredoxin reductase	0.0076	0.2114	0.2114
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0026	0.0246	0.5
Brugia malayi	acetyltransferase, GNAT family protein	0.0152	0.4952	0.4952
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.003	0.0386	0.0656
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0026	0.0246	0.5
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0026	0.0246	0.0246
Schistosoma mansoni	hypothetical protein	0.0071	0.1937	0.1937
Loa Loa (eye worm)	glutathione reductase	0.0076	0.2114	0.2114
Mycobacterium ulcerans	DNA polymerase IV	0.0087	0.2524	0.2524
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0407	0.0407
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Brugia malayi	fructose-bisphosphate aldolase 1	0.0095	0.2826	0.2826
Leishmania major	trypanothione reductase	0.0076	0.2114	0.2321
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.003	0.0386	0.0386
Echinococcus multilocularis	jun protein	0.0088	0.2556	0.4346
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0246	0.027
Schistosoma mansoni	hypothetical protein	0.0038	0.0669	0.0669
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.0095	0.2826	0.3103
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0386	0.0656
Brugia malayi	hypothetical protein	0.0069	0.1847	0.1847
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0706	0.0706
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0045	0.0932	0.1024
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Onchocerca volvulus		0.0039	0.0706	0.1652
Trypanosoma brucei	fructose-bisphosphate aldolase, glycosomal, putative	0.0095	0.2826	0.3103
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.0151	0.4924	0.8374
Mycobacterium ulcerans	DNA polymerase IV	0.0087	0.2524	0.2524
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0706	0.0706
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.003	0.0386	0.0656
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.093	0.093
Brugia malayi	nuclear receptor NHR-88	0.003	0.0386	0.0386
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0706	0.0706
Trypanosoma cruzi	squalene synthase, putative	0.0262	0.9107	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.037	0.037
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0386	0.0386
Brugia malayi	intermediate filament protein	0.003	0.039	0.039
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0026	0.0246	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.1354	0.1354
Loa Loa (eye worm)	hypothetical protein	0.003	0.0386	0.0386
Echinococcus multilocularis	fructose bisphosphate aldolase class I	0.0095	0.2826	0.4805
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0026	0.0246	0.0869
Brugia malayi	Thioredoxin reductase	0.0076	0.2114	0.2114
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0706	0.1201
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0706	0.0706
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.003	0.0386	0.0386
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0706	0.0706
Giardia lamblia	DINP protein human, muc B family	0.0045	0.0932	0.1894
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Trichomonas vaginalis	esterase, putative	0.0039	0.0706	0.0706
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0026	0.0246	0.027
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0386	0.0386
Echinococcus granulosus	FTZ F1 alpha	0.003	0.0386	0.0656
Leishmania major	hypothetical protein, conserved	0.0039	0.0706	0.0775
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0706	0.0706
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0246	0.027
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0706	0.0775
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0386	0.0656
Schistosoma mansoni	DNA polymerase eta	0.0031	0.0407	0.0407
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0026	0.0246	0.0288
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0246	0.027
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Echinococcus granulosus	thioredoxin glutathione reductase	0.0076	0.2114	0.3595
Echinococcus multilocularis	lamin	0.003	0.039	0.0664
Loa Loa (eye worm)	hypothetical protein	0.003	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0066	0.173	0.173
Trypanosoma brucei	DNA polymerase IV, putative	0.0073	0.1999	0.2195
Schistosoma mansoni	hypothetical protein	0.0082	0.2326	0.2326
Plasmodium falciparum	thioredoxin reductase	0.0026	0.0246	0.0869
Leishmania major	hypothetical protein, conserved	0.0082	0.2326	0.2554
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0026	0.0246	0.0869
Loa Loa (eye worm)	hypothetical protein	0.003	0.0386	0.0386
Schistosoma mansoni	lamin	0.003	0.039	0.039
Schistosoma mansoni	chromatin regulatory protein sir2	0.0151	0.4924	0.4924
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0247	0.8528	1
Plasmodium falciparum	thioredoxin reductase	0.0076	0.2114	0.7482
Onchocerca volvulus		0.003	0.039	0.0024
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0386	0.0386
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0706	0.2499
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0026	0.0246	0.027
Schistosoma mansoni	fructose 16-bisphosphate aldolase	0.0095	0.2826	0.2826
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.003	0.0386	0.0656
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.003	0.0386	0.0386
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0669	0.1138
Echinococcus granulosus	dna polymerase kappa	0.0087	0.2524	0.4293
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.003	0.0386	0.0656
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0706	0.0828
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.003	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0706	0.0706
Onchocerca volvulus		0.0039	0.0706	0.1652
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0031	0.0407	0.0407
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0706	0.0706
Trypanosoma brucei	DNA polymerase eta, putative	0.0031	0.0407	0.0447
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0706	0.0828
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.003	0.0386	0.0386
Loa Loa (eye worm)	steroid hormone receptor	0.003	0.0386	0.0386
Echinococcus multilocularis	ecdysone induced protein 78C	0.003	0.0386	0.0656
Trypanosoma cruzi	trypanothione reductase, putative	0.0076	0.2114	0.2321
Trichomonas vaginalis	DNA polymerase eta, putative	0.0087	0.2524	0.2524
Echinococcus multilocularis	fructose 1,6 bisphosphate aldolase	0.0095	0.2826	0.4805
Schistosoma mansoni	hypothetical protein	0.0038	0.069	0.069
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.003	0.0386	0.0656
Entamoeba histolytica	hypothetical protein	0.0038	0.0669	0.8461
Brugia malayi	beta-lactamase	0.0039	0.0706	0.0706
Schistosoma mansoni	hypothetical protein	0.0176	0.588	0.588
Schistosoma mansoni	jun-related protein	0.0071	0.1937	0.1937
Schistosoma mansoni	nuclear hormone receptor	0.003	0.0386	0.0386
Brugia malayi	polk-prov protein	0.0066	0.173	0.173
Toxoplasma gondii	ABC1 family protein	0.0039	0.0706	0.2499
Echinococcus granulosus	fructose bisphosphate aldolase class I	0.0095	0.2826	0.4805
Schistosoma mansoni	hypothetical protein	0.0176	0.588	0.588
Toxoplasma gondii	fructose-1,6-bisphosphate aldolase	0.0095	0.2826	1
Plasmodium falciparum	fructose-bisphosphate aldolase	0.0095	0.2826	1
Echinococcus granulosus	fructose 16 bisphosphate aldolase	0.0095	0.2826	0.4805
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.093	0.3292
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0386	0.0656
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0706	0.0706
Giardia lamblia	NAD-dependent histone deacetylase Sir2	0.0151	0.4924	1
Loa Loa (eye worm)	acetyltransferase	0.0152	0.4952	0.4952
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0026	0.0246	0.0246
Echinococcus multilocularis	geminin	0.0176	0.588	1
Trypanosoma cruzi	squalene synthase, putative	0.0262	0.9107	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.003	0.0386	0.0656
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Brugia malayi	glutathione reductase	0.0076	0.2114	0.2114
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2326	0.2326
Onchocerca volvulus		0.0039	0.0706	0.1652
Giardia lamblia	Histone acetyltransferase GCN5	0.0041	0.0791	0.1606
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0152	0.4952	0.8422
Plasmodium falciparum	glutathione reductase	0.0076	0.2114	0.7482
Brugia malayi	fructose-bisphosphate aldolase 2	0.0095	0.2826	0.2826
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0706	0.0828
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.003	0.0386	0.0386
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0706	0.0775
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0706	0.0828
Entamoeba histolytica	hypothetical protein	0.0038	0.0669	0.8461
Loa Loa (eye worm)	hypothetical protein	0.0151	0.4924	0.4924
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.003	0.0386	0.0386
Trypanosoma brucei	DNA polymerase IV, putative	0.0087	0.2524	0.2772
Loa Loa (eye worm)	intermediate filament protein	0.003	0.039	0.039
Trypanosoma cruzi	trypanothione reductase, putative	0.0026	0.0246	0.027
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0076	0.2114	0.3595
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0087	0.2524	0.2524
Trypanosoma brucei	trypanothione reductase	0.0076	0.2114	0.2321
Brugia malayi	ImpB/MucB/SamB family protein	0.0031	0.0407	0.0407
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Echinococcus multilocularis	dna polymerase eta	0.0031	0.0407	0.0692
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0706	0.0828
Schistosoma mansoni	retinoic acid receptor RXR	0.003	0.0386	0.0386
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0706	0.1201
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.0407	0.0447
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.003	0.0386	0.0386
Echinococcus granulosus	ecdysone induced protein 78C	0.003	0.0386	0.0656
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.069	0.069
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.003	0.0386	0.0656
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.039	0.039
Trypanosoma brucei	unspecified product	0.0021	0.0049	0.0054
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0386	0.0386
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0088	0.2556	0.4346
Trichomonas vaginalis	mercuric reductase, putative	0.0026	0.0246	0.0246
Echinococcus granulosus	Squalene phytoene synthase	0.0082	0.2326	0.3955
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0026	0.0246	0.0288
Loa Loa (eye worm)	hypothetical protein	0.003	0.0386	0.0386
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0026	0.0246	0.0869
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0246	0.027
Mycobacterium ulcerans	lipase LipD	0.0039	0.0706	0.0706
Loa Loa (eye worm)	glutaminase	0.0286	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0151	0.4924	0.4924
Brugia malayi	beta-lactamase family protein	0.0039	0.0706	0.0706
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0207	0.0207
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0706	0.0828
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0706	1
Echinococcus granulosus	fructose 16 bisphosphate aldolase	0.0095	0.2826	0.4805
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0026	0.0246	0.027
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0026	0.0246	0.027
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Toxoplasma gondii	fructose-1,6-bisphosphate aldolase	0.0095	0.2826	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0035	0.0575	0.0631
Echinococcus granulosus	geminin	0.0176	0.588	1
Echinococcus multilocularis	dna polymerase kappa	0.0087	0.2524	0.4293
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0026	0.0246	0.0288
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0932	0.1024
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.1354	0.1354
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0386	0.0386
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0386	0.0656
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0246	0.027
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0031	0.0407	0.5151
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.093	0.093
Schistosoma mansoni	steroid hormone receptor ad4bp	0.003	0.0386	0.0386
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0706	0.0775
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0706	0.0828
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0207	0.0207
Schistosoma mansoni	fructose 16-bisphosphate aldolase	0.0095	0.2826	0.2826
Entamoeba histolytica	hypothetical protein	0.0038	0.0669	0.8461
Mycobacterium tuberculosis	Probable oxidoreductase	0.0026	0.0246	0.0288
Brugia malayi	ecdysteroid receptor	0.003	0.0386	0.0386
Brugia malayi	hypothetical protein	0.0038	0.0669	0.0669
Echinococcus multilocularis	lamin dm0	0.003	0.039	0.0664
Schistosoma mansoni	RAR-like nuclear receptor	0.003	0.0386	0.0386
Echinococcus granulosus	lamin dm0	0.003	0.039	0.0664
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0076	0.2114	0.2479
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0024	0.0138	0.0487
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0026	0.0246	0.0869
Echinococcus granulosus	jun protein	0.0088	0.2556	0.4346
Trypanosoma cruzi	phytoene synthase, putative	0.0082	0.2326	0.2554
Brugia malayi	ImpB/MucB/SamB family protein	0.0031	0.0407	0.0407
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0706	0.0706
Toxoplasma gondii	thioredoxin reductase	0.0076	0.2114	0.7482
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0151	0.4924	0.4924
Echinococcus multilocularis	fructose 1,6 bisphosphate aldolase	0.0095	0.2826	0.4805
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0706	0.0706
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.003	0.0386	0.0386
Brugia malayi	bZIP transcription factor family protein	0.0088	0.2556	0.2556
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.003	0.0386	0.0386
Leishmania major	DNA polymerase eta, putative	0.0031	0.0407	0.0447
Mycobacterium tuberculosis	Probable phytoene synthase PhyA	0.0082	0.2326	0.2727
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0147	0.4792	0.815
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0026	0.0246	0.0418
Toxoplasma gondii	NADPH-glutathione reductase	0.0026	0.0246	0.0869
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0386	0.0386
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0706	0.0828
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.003	0.0386	0.0386
Echinococcus granulosus	lamin	0.003	0.039	0.0664
Entamoeba histolytica	hypothetical protein	0.0038	0.0669	0.8461
Brugia malayi	beta-lactamase family protein	0.0039	0.0706	0.0706
Brugia malayi	nuclear hormone receptor	0.003	0.0386	0.0386
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.003	0.0386	0.0656
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0151	0.4924	0.4924
Mycobacterium ulcerans	phytoene synthase, CrtB	0.0082	0.2326	0.2326
Leishmania major	squalene synthase, putative	0.0262	0.9107	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.003	0.0386	0.0386
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.003	0.0386	0.0386
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0669	0.1138
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0386	0.0386
Trypanosoma brucei	unspecified product	0.0073	0.1999	0.2195
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0706	0.0706
Entamoeba histolytica	acetyltransferase, GNAT family	0.0041	0.0791	1
Trypanosoma brucei	unspecified product	0.0021	0.0049	0.0054
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.003	0.0386	0.0386
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.0095	0.2826	0.3103
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.0095	0.2826	0.3103
Trypanosoma brucei	DNA polymerase kappa, putative	0.0087	0.2524	0.2772
Loa Loa (eye worm)	glutaminase 2	0.0286	1	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0026	0.0246	0.027
Onchocerca volvulus		0.0069	0.1847	0.7532
Loa Loa (eye worm)	hypothetical protein	0.003	0.0386	0.0386
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0026	0.0246	0.027
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0706	0.0706
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.003	0.0386	0.0386
Brugia malayi	Steroid receptor seven-up type 2	0.003	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.003	0.0386	0.0386
Echinococcus granulosus	intermediate filament protein	0.003	0.039	0.0664
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0026	0.0246	0.0869
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.093	0.1582

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 15.7 uM	Inhibition of human SIRT1 by radioactive deacetylase assay	ChEMBL.	17149860
IC50 (binding)	= 15.7 uM	Inhibition of human SIRT1 by radioactive deacetylase assay	ChEMBL.	17149860
IC50 (binding)	= 24.1 uM	Inhibition of human recombinant SIRT2 by radioactive deacetylase assay	ChEMBL.	17149860
IC50 (binding)	= 24.1 uM	Inhibition of human recombinant SIRT2 by radioactive deacetylase assay	ChEMBL.	17149860
IC50 (binding)	= 33 uM	Inhibition of human recombinant SIRT2	ChEMBL.	17149860
IC50 (binding)	= 33 uM	Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay	ChEMBL.	17149860
IC50 (binding)	= 33 uM	Inhibition of human recombinant SIRT2	ChEMBL.	17149860
IC50 (binding)	= 33 uM	Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay	ChEMBL.	17149860
IC50 (binding)	> 50 uM	Inhibition of human SIRT1	ChEMBL.	17149860
IC50 (binding)	> 50 uM	Inhibition of human SIRT1 by fluorescent deacetylase assay	ChEMBL.	17149860
IC50 (binding)	> 50 uM	Inhibition of human SIRT1	ChEMBL.	17149860
IC50 (binding)	> 50 uM	Inhibition of human SIRT1 by fluorescent deacetylase assay	ChEMBL.	17149860
IC50 (binding)	> 100 uM	Inhibition of rat brain protein kinase C (PKC) with ATP and histone as substrates	ChEMBL.	1732526
IC50 (binding)	> 100 uM	Inhibition of rat brain protein kinase C (PKC) with ATP and histone as substrates	ChEMBL.	1732526
Inhibition (binding)	= 85 %	Inhibition of His-tagged human PRAK expressed in Sf9 cells at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 88 %	Inhibition of His-tagged human SAPK4/p38delta expressed in Escherichia coli at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 91 %	Inhibition of human PKBalpha expressed in SF9 cells at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 96 %	Inhibition of His-tagged human SGK expressed in Sf9 cells at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 96 %	Inhibition of His-tagged human LCK expressed in Sf9 cells at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 98 %	Inhibition of His-tagged human CK2 expressed in Sf9 cells at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 99 %	Inhibition of His-tagged human SAPK3/p38gamma expressed in Escherichia coli at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 100 %	Inhibition of His-tagged human JNK1a1/SAPK1c expressed in Escherichia coli at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 101 %	Inhibition of His-tagged human MAPK2/ERK2 expressed in Escherichia coli at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 101 %	Inhibition of His-tagged human SAPK2a/p38 expressed in Escherichia coli at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 103 %	Inhibition of His-tagged human MSK1 expressed in Sf9 cells at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 104 %	Inhibition of His-tagged human SAPK2b/p38b2 expressed in Escherichia coli at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 104 %	Inhibition of His-tagged human PKCalpha expressed in Escherichia coli at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 104 %	Inhibition of His-tagged human CHK1 expressed in Escherichia coli at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 107 %	Inhibition of rat ROCK2 expressed in Sf9 cells at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 109 %	Inhibition of His-tagged human PDK1 expressed in Sf21 cells at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 109 %	Inhibition of His-tagged human GSK3b expressed in Sf21 cells at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 110 %	Inhibition of His-tagged human S6K1 expressed in Escherichia coli at 1 uM	ChEMBL.	10998351
Inhibition (binding)	= 124 %	Inhibition of His-tagged human MAPKAPK2 expressed in Escherichia coli at 1 uM	ChEMBL.	10998351

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

Search by CAS
ChEMBL: CHEMBL291725
PubChem: 2400

Bibliographic References

3 literature references were collected for this gene.

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Detailed information for compound 80121