TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 386.485 | Formula: C22H30N2O4
H donors: 1 H acceptors: 2 LogP: 2.34 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COCCn1c(C)cc(c(c1=O)C(c1ccc(cc1)OC)N1CCCCC1)O
InChi: 1S/C22H30N2O4/c1-16-15-19(25)20(22(26)24(16)13-14-27-2)21(23-11-5-4-6-12-23)17-7-9-18(28-3)10-8-17/h7-10,15,21,25H,4-6,11-14H2,1-3H3
InChiKey: UKXNQBWEXOYXIV-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
Schistosoma mansoni	Thioredoxin glutathione reductase	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	thioredoxin 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
Leishmania mexicana	trypanothione 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 yoelii	glutathione reductase	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
Trypanosoma congolense	trypanothione 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
Cryptosporidium parvum	thioredoxin reductase 1	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
Leishmania donovani	trypanothione 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 knowlesi	glutathione reductase, putative	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
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	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
Cryptosporidium hominis	thioredoxin reductase	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 braziliensis	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
Leishmania major	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
Plasmodium falciparum	thioredoxin 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 vivax	glutathione 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
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	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 knowlesi	thioredoxin 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
Trypanosoma brucei gambiense	trypanothione reductase, putative	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
Neospora caninum	MGC84926 protein, 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	Thioredoxin glutathione reductase	598 aa	513 aa	25.0 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	518 aa	22.0 %
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 %
Onchocerca volvulus		Thioredoxin glutathione reductase	598 aa	533 aa	50.8 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	538 aa	25.3 %
Neospora caninum	glutathione reductase, putative	Thioredoxin glutathione reductase	598 aa	532 aa	34.6 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin glutathione reductase	598 aa	537 aa	24.2 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	521 aa	21.5 %
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
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0.0016	0.0072
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0064	0.0659	0.2913
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0016	0.0072
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0049	0.0445	0.0445
Treponema pallidum	phosphoglycerate kinase	0.0174	0.2262	1
Schistosoma mansoni	apoptosis regulator bax	0.0085	0.0962	0.0962
Entamoeba histolytica	hypothetical protein	0.0037	0.0266	0.1176
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0049	0.0445	0.1969
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0261	0.0261
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0049	0.0445	0.1969
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.1135	0.3487
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0425	0.1306
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0077	0.0341
Echinococcus multilocularis	lactate dehydrogenase protein	0.0048	0.0426	0.0426
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0234	0.313	0.6297
Wolbachia endosymbiont of Brugia malayi	phosphoglycerate kinase	0.0174	0.2262	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0261	0.0606
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0174	0.2262	0.2262
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0016	0.0016
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0048	0.0426	0.0426
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0142	0.1796	0.3614
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0097	0.1135	0.1135
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0016	0.0016
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0036	0.0255	0.0903
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0049	0.0445	0.1969
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0016	0.0016
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0085	0.0962	0.0962
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0097	0.1135	0.5017
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0016	0.0038
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0261	0.0526
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0049	0.0445	0.1969
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0016	0.0072
Plasmodium vivax	SET domain protein, putative	0.0031	0.0173	0.0767
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0261	0.0526
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0158	0.07
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0261	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0426	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0447	0.1036
Brugia malayi	Pre-SET motif family protein	0.0213	0.2827	1
Plasmodium vivax	importin-beta 2, putative	0.003	0.0158	0.07
Echinococcus granulosus	dna polymerase eta	0.0046	0.0395	0.0395
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Toxoplasma gondii	hypothetical protein	0.0049	0.0447	0.1058
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0049	0.0445	0.1969
Plasmodium vivax	malate dehydrogenase, putative	0.0048	0.0426	0.1883
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0174	0.2262	1
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0174	0.2262	0.6951
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0261	0.1155
Trypanosoma cruzi	DNA polymerase eta, putative	0.0032	0.0197	0.0873
Mycobacterium tuberculosis	Probable reductase	0.0324	0.4444	0.8941
Plasmodium vivax	thioredoxin reductase, putative	0.0142	0.1796	0.7939
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0261	0.0925
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0473	0.1098
Brugia malayi	beta-lactamase family protein	0.0037	0.0261	0.0925
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0261	0.0803
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0064	0.0659	0.2913
Echinococcus granulosus	sumo-activating enzyme subunit 2	0.0032	0.0201	0.0201
Entamoeba histolytica	hypothetical protein	0.0037	0.0266	0.1176
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0016	0.0016
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0261	0.0261
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0324	0.4444	0.8941
Brugia malayi	PAN domain containing protein	0.0019	0.0012	0.0041
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0261	0.1155
Brugia malayi	PAN domain containing protein	0.0019	0.0012	0.0041
Toxoplasma gondii	malate dehydrogenase MDH	0.0048	0.0426	0.1008
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0473	0.1674
Echinococcus granulosus	lactate dehydrogenase a	0.0048	0.0426	0.0426
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0097	0.1135	0.3464
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0173	0.0394
Brugia malayi	serine/threonine-protein kinase plk-2	0.0097	0.1135	0.4015
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0016	0.0058
Schistosoma mansoni	hypothetical protein	0.0085	0.0962	0.0962
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0395	0.0917
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0174	0.2262	1
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0261	0.1155
Schistosoma mansoni	phosphoglycerate kinase	0.0174	0.2262	0.2262
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0261	0.0606
Loa Loa (eye worm)	PAN domain-containing protein	0.0019	0.0012	0.0027
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0085	0.0962	0.0962
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0045	0.0381	0.0381
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0049	0.0445	0.0896
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0261	0.0261
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.046	0.046
Plasmodium falciparum	SUMO-activating enzyme subunit 2	0.0032	0.0201	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0261	0.0606
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0085	0.0962	0.0962
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0425	0.1306
Trichomonas vaginalis	set domain proteins, putative	0.0243	0.3255	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0097	0.1135	0.1135
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0048	0.0426	0.1008
Brugia malayi	PAN domain containing protein	0.0019	0.0012	0.0041
Toxoplasma gondii	PAN domain-containing protein	0.0302	0.412	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0049	0.0445	0.0445
Leishmania major	DNA polymerase eta, putative	0.0032	0.0197	0.0873
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0077	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0173	0.0402
Brugia malayi	ImpB/MucB/SamB family protein	0.0046	0.0395	0.1399
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0261	0.0606
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0049	0.0445	0.1969
Trichomonas vaginalis	mercuric reductase, putative	0.0049	0.0445	0.1368
Echinococcus granulosus	snurportin 1	0.0315	0.4311	0.4311
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0027
Mycobacterium ulcerans	lipase LipD	0.0037	0.0261	0.1155
Brugia malayi	PAN domain containing protein	0.0019	0.0012	0.0041
Plasmodium falciparum	thioredoxin reductase	0.0142	0.1796	0.7939
Giardia lamblia	Phosphoglycerate kinase	0.0174	0.2262	1
Plasmodium vivax	SUMO-activating enzyme subunit 2, putative	0.0032	0.0201	0.0889
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0077	0.0341
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0261	0.0803
Echinococcus multilocularis	microtubule associated protein 2	0.0707	1	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0261	0.0526
Schistosoma mansoni	kinase	0.0049	0.0444	0.0444
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0077	0.0237
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0173	0.0173
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0174	0.2262	0.4552
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0143	0.1805	0.1805
Onchocerca volvulus		0.0037	0.0261	0.077
Trypanosoma cruzi	trypanothione reductase, putative	0.0049	0.0445	0.1969
Schistosoma mansoni	hypothetical protein	0.0035	0.0238	0.0238
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0049	0.0445	0.0445
Leishmania major	trypanothione reductase	0.0142	0.1796	0.7939
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.2827	0.6558
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0049	0.0445	0.1055
Toxoplasma gondii	thioredoxin reductase	0.0142	0.1796	0.4343
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Onchocerca volvulus		0.0031	0.0173	0.0499
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0174	0.2262	0.5478
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0077	0.0237
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0261	0.0803
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0266	0.0266
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0049	0.0445	0.1969
Echinococcus multilocularis	lactate dehydrogenase a	0.0048	0.0426	0.0426
Echinococcus multilocularis	SUMO activating enzyme subunit 1	0.0049	0.0447	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0261	0.0606
Brugia malayi	PAN domain containing protein	0.0019	0.0012	0.0041
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0361	0.497	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0036	0.0255	0.0903
Loa Loa (eye worm)	ThiF family protein	0.0032	0.0201	0.0467
Echinococcus granulosus	tumor protein p63	0.0344	0.4724	0.4724
Brugia malayi	Thioredoxin reductase	0.0142	0.1796	0.6353
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0049	0.0445	0.1969
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0261	0.1155
Onchocerca volvulus		0.0037	0.0261	0.077
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0049	0.0445	0.1969
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0238	0.0841
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0049	0.0445	0.1969
Trypanosoma brucei	phosphoglycerate kinase	0.0174	0.2262	1
Onchocerca volvulus		0.0243	0.3255	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0173	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0027
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0049	0.0445	0.1969
Loa Loa (eye worm)	hypothetical protein	0.0174	0.2262	0.5248
Toxoplasma gondii	ThiF family protein	0.0032	0.0201	0.0461
Trypanosoma cruzi	trypanothione reductase, putative	0.0142	0.1796	0.7939
Brugia malayi	Pre-SET motif family protein	0.0031	0.0173	0.0613
Trypanosoma cruzi	DNA polymerase eta, putative	0.0046	0.0395	0.1748
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0097	0.1135	0.2633
Loa Loa (eye worm)	PAN domain-containing protein	0.0019	0.0012	0.0027
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0361	0.497	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0049	0.0445	0.1969
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0048	0.0426	0.0426
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0049	0.0445	0.1969
Brugia malayi	lactate dehydrogenase.	0.0048	0.0426	0.1507
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.1135	0.3487
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0049	0.0445	0.1969
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Entamoeba histolytica	hypothetical protein	0.0037	0.0266	0.1176
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0173	0.0173
Toxoplasma gondii	NADPH-glutathione reductase	0.0049	0.0445	0.1055
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0261	0.0803
Trichomonas vaginalis	esterase, putative	0.0037	0.0261	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0027
Trypanosoma brucei	phosphoglycerate kinase, putative	0.0064	0.0659	0.2913
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0261	0.0606
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0158	0.0357
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0173	0.0173
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0064	0.0659	0.2913
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0027
Giardia lamblia	DINP protein human, muc B family	0.002	0.0016	0.0072
Echinococcus multilocularis	tumor protein p63	0.0344	0.4724	0.4724
Echinococcus granulosus	lactate dehydrogenase protein	0.0048	0.0426	0.0426
Schistosoma mansoni	importin beta-1	0.003	0.0158	0.0158
Echinococcus multilocularis	dna polymerase eta	0.0046	0.0395	0.0395
Leishmania major	DNA polymerase eta, putative	0.0046	0.0395	0.1748
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.1135	0.3487
Plasmodium vivax	glutathione reductase, putative	0.0142	0.1796	0.7939
Leishmania major	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Echinococcus multilocularis	lactate dehydrogenase a	0.0048	0.0426	0.0426
Schistosoma mansoni	microtubule-associated protein tau	0.0707	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0173	0.0173
Trypanosoma brucei	ubiquitin-activating enzyme E1, putative	0.0032	0.0201	0.0889
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0049	0.0445	0.1969
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0049	0.0447	0.0447
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0049	0.0445	0.1969
Loa Loa (eye worm)	thioredoxin reductase	0.0142	0.1796	0.4166
Brugia malayi	ThiF family protein	0.0032	0.0201	0.0712
Entamoeba histolytica	malate dehydrogenase, putative	0.0048	0.0426	0.1883
Trypanosoma brucei	phosphoglycerate kinase	0.0174	0.2262	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0261	0.0526
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Schistosoma mansoni	malate dehydrogenase	0.0048	0.0426	0.0426
Trichomonas vaginalis	DNA polymerase eta, putative	0.002	0.0016	0.005
Entamoeba histolytica	hypothetical protein	0.0024	0.0077	0.0341
Trypanosoma cruzi	ubiquitin-activating enzyme, putative	0.0028	0.0135	0.0598
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0324	0.4444	0.8941
Echinococcus granulosus	importin subunit beta 1	0.003	0.0158	0.0158
Brugia malayi	glutathione reductase	0.0142	0.1796	0.6353
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0261	0.1155
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0049	0.0445	0.1969
Brugia malayi	RNA, U transporter 1	0.0084	0.095	0.3359
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0016	0.0072
Leishmania major	malate dehydrogenase, putative	0.0048	0.0426	0.1883
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0049	0.0445	0.1969
Mycobacterium tuberculosis	Probable dehydrogenase	0.0324	0.4444	0.8941
Brugia malayi	Phosphoglycerate kinase	0.0174	0.2262	0.8003
Echinococcus granulosus	SUMO activating enzyme subunit 1	0.0049	0.0447	0.0447
Loa Loa (eye worm)	apoptosis regulator protein	0.0085	0.0962	0.2231
Echinococcus granulosus	dna polymerase kappa	0.002	0.0016	0.0016
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0016	0.0072
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0174	0.2262	0.6951
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0049	0.0445	0.1575
Mycobacterium leprae	Probable phosphoglycerate kinase Pgk	0.0174	0.2262	0.4552
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0315	0.4311	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0261	0.0526
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0261	0.0526
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.1135	0.3487
Echinococcus granulosus	lactate dehydrogenase a	0.0048	0.0426	0.0426
Schistosoma mansoni	hypothetical protein	0.0085	0.0962	0.0962
Loa Loa (eye worm)	PAN domain-containing protein	0.0019	0.0012	0.0027
Brugia malayi	PAN domain containing protein	0.0019	0.0012	0.0041
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0324	0.4444	0.8941
Loa Loa (eye worm)	hypothetical protein	0.003	0.0158	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0238	0.0552
Plasmodium falciparum	malate dehydrogenase	0.0048	0.0426	0.1883
Trichomonas vaginalis	glutathione reductase, putative	0.0049	0.0445	0.1368
Brugia malayi	PAN domain containing protein	0.0019	0.0012	0.0041
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0049	0.0445	0.1969
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0049	0.0445	0.1969
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0324	0.4444	0.8941
Brugia malayi	PAN domain containing protein	0.0019	0.0012	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0027
Entamoeba histolytica	hypothetical protein	0.0037	0.0266	0.1176
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Trypanosoma cruzi	polo-like protein kinase, putative	0.0097	0.1135	0.5017
Schistosoma mansoni	ubiquitin-activating enzyme E1b	0.0032	0.0201	0.0201
Trypanosoma cruzi	ubiquitin-activating enzyme, putative	0.0032	0.0201	0.0889
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Schistosoma mansoni	hypothetical protein	0.0315	0.4311	0.4311
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0261	0.0261
Schistosoma mansoni	DNA polymerase eta	0.0046	0.0395	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0027
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0261	0.1155
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0174	0.2262	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.002	0.0016	0.005
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0324	0.4444	0.8941
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0261	0.0606
Schistosoma mansoni	phosphoglycerate kinase	0.0174	0.2262	0.2262
Brugia malayi	beta-lactamase family protein	0.0037	0.0261	0.0925
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0016	0.0033
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.1135	0.3487
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0174	0.2262	0.5478
Trypanosoma brucei	phosphoglycerate kinase	0.0064	0.0659	0.2913
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0266	0.0266
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0064	0.0659	0.2913
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0049	0.0445	0.1969
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0261	0.0606
Brugia malayi	beta-lactamase	0.0037	0.0261	0.0925
Leishmania major	ubiquitin-activating enzyme-like protein	0.0032	0.0201	0.0889
Plasmodium falciparum	L-lactate dehydrogenase	0.0048	0.0426	0.1883
Echinococcus multilocularis	L lactate dehydrogenase	0.0029	0.0155	0.0155
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0473	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0962	0.2231
Chlamydia trachomatis	phosphoglycerate kinase	0.0174	0.2262	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0049	0.0445	0.1969
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0085	0.0962	0.0962
Leishmania major	hypothetical protein, conserved	0.0037	0.0261	0.1155
Mycobacterium ulcerans	phosphoglycerate kinase	0.0174	0.2262	1
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0261	0.0526
Loa Loa (eye worm)	hypothetical protein	0.005	0.046	0.1068
Brugia malayi	Phosphoglycerate kinase	0.0064	0.0659	0.2331
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0049	0.0445	0.0105
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0266	0.0266
Echinococcus multilocularis	lactate dehydrogenase a	0.0048	0.0426	0.0426
Echinococcus granulosus	phosphoglycerate kinase 1	0.0174	0.2262	0.2262
Giardia lamblia	Kinase, PLK	0.0097	0.1135	0.5017
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0261	0.1155
Plasmodium vivax	phosphoglycerate kinase, putative	0.0174	0.2262	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0261	0.0526
Plasmodium falciparum	glutathione reductase	0.0142	0.1796	0.7939
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0016	0.0016
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0032	0.0197	0.0452
Loa Loa (eye worm)	PAN domain-containing protein	0.0019	0.0012	0.0027
Schistosoma mansoni	serine/threonine protein kinase	0.0097	0.1135	0.1135
Echinococcus multilocularis	SUMO activating enzyme subunit 2	0.0032	0.0201	0.0201
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0261	0.0526
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0261	0.0526
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0049	0.0445	0.1969
Plasmodium vivax	ubiquitin activating enzyme, putative	0.0049	0.0447	0.1974
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0261	0.1155
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0085	0.0962	0.0962
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0157	0.0157
Plasmodium vivax	lactate dehydrogenase	0.0048	0.0426	0.1883
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0158	0.07
Echinococcus granulosus	thioredoxin glutathione reductase	0.0143	0.1805	0.1805
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0048	0.0426	0.1008
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0097	0.1135	0.5017
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0016	0.0072
Mycobacterium tuberculosis	Probable oxidoreductase	0.0361	0.497	1
Trypanosoma brucei	polo-like protein kinase	0.0097	0.1135	0.5017
Brugia malayi	hypothetical protein	0.0037	0.0266	0.0942
Plasmodium falciparum	importin beta, putative	0.003	0.0158	0.07
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0261	0.0526
Onchocerca volvulus		0.005	0.046	0.1383
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0064	0.0659	0.2913
Trypanosoma cruzi	polo-like protein kinase, putative	0.0097	0.1135	0.5017
Schistosoma mansoni	hypothetical protein	0.0037	0.0266	0.0266
Schistosoma mansoni	hypothetical protein	0.0085	0.0962	0.0962
Trypanosoma brucei	unspecified product	0.002	0.0016	0.0072
Onchocerca volvulus		0.0037	0.0261	0.077
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0173	0.0173
Brugia malayi	Importin beta-1 subunit	0.003	0.0158	0.056
Loa Loa (eye worm)	glutathione reductase	0.0142	0.1796	0.4166
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0174	0.2262	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0019	0.0012	0.0027
Plasmodium falciparum	glutathione reductase	0.0049	0.0445	0.1969
Echinococcus granulosus	L lactate dehydrogenase	0.0029	0.0155	0.0155
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.1135	0.3487
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0173	0.0173
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0158	0.0158
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0016	0.0072
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0473	0.1674
Entamoeba histolytica	deoxycytidyl transferase, putative	0.002	0.0016	0.0072
Schistosoma mansoni	L-lactate dehydrogenase	0.0048	0.0426	0.0426
Brugia malayi	ThiF family protein	0.0049	0.0447	0.158
Echinococcus multilocularis	snurportin 1	0.0315	0.4311	0.4311
Plasmodium falciparum	SUMO-activating enzyme subunit 1	0.0049	0.0447	0.1974
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0049	0.0445	0.1969
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0027
Toxoplasma gondii	ABC1 family protein	0.0037	0.0261	0.0608
Trypanosoma brucei	DNA polymerase eta, putative	0.0046	0.0395	0.1748
Plasmodium falciparum	thioredoxin reductase	0.0049	0.0445	0.1969
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0361	0.497	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0049	0.0445	0.1969
Trypanosoma brucei	trypanothione reductase	0.0142	0.1796	0.7939
Brugia malayi	PAN domain containing protein	0.0019	0.0012	0.0041
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0261	0.0803
Toxoplasma gondii	PAN domain-containing protein	0.0302	0.412	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0049	0.0445	0.0105
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0085	0.0962	0.3402
Brugia malayi	PAN domain containing protein	0.0019	0.0012	0.0041
Plasmodium falciparum	phosphoglycerate kinase	0.0174	0.2262	1
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0174	0.2262	1
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.0064	0.0659	0.2913
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.0016	0.0033
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.1135	0.3487

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2239 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 11.2202 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 (binding)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	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: CHEMBL1514080
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 682223