TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 470.478 | Formula: C22H26N6O6
H donors: 5 H acceptors: 8 LogP: 0.04 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC[C@H]1OC([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccccc1)CCCC(=O)O
InChi: 1S/C22H26N6O6/c29-15(7-4-8-16(30)31)23-10-14-18(32)19(33)22(34-14)28-12-27-17-20(25-11-26-21(17)28)24-9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14,18-19,22,32-33H,4,7-10H2,(H,23,29)(H,30,31)(H,24,25,26)/t14-,18-,19-,22?/m1/s1
InChiKey: SZFFPDVNLKFFHH-IBBXYBPXSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0037	0.0173	0.019
Plasmodium vivax	SET domain protein, putative	0.0133	0.1101	0.267
Echinococcus granulosus	Niemann Pick C1 protein	0.0117	0.0945	0.2278
Trichomonas vaginalis	pyruvate kinase, putative	0.0037	0.0173	0.0166
Toxoplasma gondii	NADPH-glutathione reductase	0.0155	0.1309	0.3176
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0155	0.1309	0.3164
Leishmania major	hypothetical protein, conserved	0.0041	0.0213	0.0501
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0728	0.6822	1
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0041	0.0213	0.0517
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0133	0.1101	0.1139
Echinococcus multilocularis	protein patched	0.005	0.0301	0.0726
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0334	0.3034	0.7356
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0155	0.1309	0.4301
Mycobacterium ulcerans	pyruvate kinase	0.0037	0.0173	0.0548
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0041	0.0213	0.2197
Entamoeba histolytica	pyridine nucleotide-disulfide oxidoreductase family protein	0.0041	0.0213	0.2197
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0155	0.1309	0.3164
Mycobacterium ulcerans	ferredoxin reductase	0.0041	0.0213	0.0681
Schistosoma mansoni	ap endonuclease	0.002	0.0007	0.0008
Trypanosoma brucei	pyruvate kinase 1, putative	0.0037	0.0173	0.0403
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0155	0.1309	0.3176
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0041	0.0213	0.0206
Entamoeba histolytica	thioredoxin reductase, putative	0.0041	0.0213	0.2197
Echinococcus granulosus	pyruvate kinase	0.0037	0.0173	0.0418
Echinococcus granulosus	Niemann Pick C1 protein	0.0168	0.1429	0.3445
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0119	0.0963	0.0996
Schistosoma mansoni	aldehyde dehydrogenase	0.0334	0.3034	0.3141
Plasmodium vivax	NAD(P)H-dependent glutamate synthase, putative	0.0041	0.0213	0.0517
Mycobacterium ulcerans	NADPH:adrenodoxin oxidoreductase FprA	0.0041	0.0213	0.0681
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0133	0.1101	0.1139
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0114	0.0913	0.1035
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0213	0.0501
Echinococcus multilocularis	pyruvate kinase	0.0037	0.0173	0.0418
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0037	0.0173	0.0403
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0155	0.1309	0.3176
Leishmania major	trypanothione reductase	0.0448	0.4122	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0728	0.6822	1
Mycobacterium tuberculosis	Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase)	0.0041	0.0213	0.0302
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0155	0.1309	0.3164
Giardia lamblia	Glutamate synthase	0.0041	0.0213	0.1629
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0041	0.0213	0.0206
Echinococcus multilocularis	pyridine nucleotide disulfide oxidoreductase	0.0041	0.0213	0.0514
Plasmodium vivax	type II NADH:ubiquinone oxidoreductase, putative	0.0041	0.0213	0.0517
Trypanosoma cruzi	2,4-dienoyl-coa reductase fadh1, putative	0.0041	0.0213	0.0501
Echinococcus granulosus	thioredoxin glutathione reductase	0.045	0.4149	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0117	0.0945	0.1071
Echinococcus multilocularis	sulfide:quinone oxidoreductase	0.0041	0.0213	0.0514
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0041	0.0213	0.0501
Mycobacterium ulcerans	thioredoxin reductase TrxB2	0.0041	0.0213	0.0681
Echinococcus granulosus	histone lysine methyltransferase setb	0.0133	0.1101	0.2653
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0007	0.0018
Mycobacterium ulcerans	dehydrogenase	0.0041	0.0213	0.0681
Plasmodium falciparum	thioredoxin reductase	0.0448	0.4122	1
Loa Loa (eye worm)	pyruvate kinase-PB	0.0026	0.0066	0.0067
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0155	0.1309	0.3156
Trypanosoma brucei	NADH dehydrogenase	0.0041	0.0213	0.0501
Loa Loa (eye worm)	pyruvate kinase	0.0037	0.0173	0.019
Echinococcus multilocularis	sterol regulatory element binding protein	0.005	0.0301	0.0726
Plasmodium falciparum	glutathione reductase	0.0155	0.1309	0.3176
Trypanosoma brucei	2,4-dienoyl-coa reductase-like protein	0.0041	0.0213	0.0501
Onchocerca volvulus		0.0133	0.1101	0.0944
Leishmania major	pyruvate kinase	0.0037	0.0173	0.0403
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0041	0.0213	0.0206
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0155	0.1309	0.4301
Leishmania major	hypothetical protein, conserved	0.0041	0.0213	0.0501
Trypanosoma cruzi	NADH dehydrogenase, putative	0.0041	0.0213	0.0501
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0155	0.1309	0.3164
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0614	0.5726	0.8392
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0041	0.0213	0.0514
Schistosoma mansoni	pyruvate kinase	0.0037	0.0173	0.0179
Plasmodium falciparum	ferrodoxin reductase-like protein	0.0041	0.0213	0.0517
Trypanosoma cruzi	pyridine nucleotide-disulphide oxidoreductase, putative	0.0041	0.0213	0.0501
Toxoplasma gondii	thioredoxin reductase	0.0448	0.4122	1
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0037	0.0173	0.019
Loa Loa (eye worm)	hypothetical protein	0.0062	0.041	0.046
Toxoplasma gondii	aldehyde dehydrogenase	0.0334	0.3034	0.736
Loa Loa (eye worm)	pyridine nucleotide-disufhide oxidoreductase	0.0041	0.0213	0.0235
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0768	0.1852
Echinococcus multilocularis	pyruvate kinase	0.0037	0.0173	0.0418
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0041	0.0213	0.0206
Echinococcus multilocularis	NADPH:adrenodoxin oxidoreductase	0.0041	0.0213	0.0514
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0155	0.1309	0.3164
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0155	0.1309	0.3164
Echinococcus granulosus	sterol regulatory element binding protein	0.005	0.0301	0.0726
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0768	0.0795
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0041	0.0213	0.2197
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0334	0.3034	1
Mycobacterium leprae	Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE)	0.0041	0.0213	0.006
Trypanosoma cruzi	trypanothione reductase, putative	0.0448	0.4122	1
Treponema pallidum	oxidoreductase	0.0041	0.0213	0.1583
Leishmania major	2,4-dienoyl-coa reductase fadh1, putative	0.0041	0.0213	0.0501
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0768	0.0795
Wolbachia endosymbiont of Brugia malayi	NADPH-dependent glutamate synthase beta chain	0.0041	0.0213	0.1583
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0041	0.0213	0.0206
Onchocerca volvulus		0.0041	0.0213	0.0041
Trypanosoma brucei	pyruvate kinase 1	0.0037	0.0173	0.0403
Echinococcus granulosus	NADPH:adrenodoxin oxidoreductase	0.0041	0.0213	0.0514
Trichomonas vaginalis	set domain proteins, putative	0.1059	1	1
Mycobacterium tuberculosis	Probable thioredoxin reductase TrxB2 (TRXR) (TR)	0.0041	0.0213	0.0302
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0037	0.0173	0.0244
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.005	0.0301	0.0336
Trypanosoma brucei	trypanothione reductase	0.0448	0.4122	1
Leishmania major	pyruvate kinase	0.0037	0.0173	0.0403
Schistosoma mansoni	sulfide quinone reductase	0.0041	0.0213	0.0221
Plasmodium falciparum	glutathione reductase	0.0448	0.4122	1
Chlamydia trachomatis	thioredoxin reductase	0.0041	0.0213	0.0353
Loa Loa (eye worm)	programmed cell death 8	0.0041	0.0213	0.0235
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0041	0.0213	0.0235
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0155	0.1309	0.4301
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0448	0.4122	0.6039
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0614	0.5726	0.8352
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0614	0.5726	0.8392
Toxoplasma gondii	NADH dehydrogenase (NDH2-II)	0.0041	0.0213	0.0517
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0728	0.6822	1
Echinococcus granulosus	sulfide:quinone oxidoreductase	0.0041	0.0213	0.0514
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0155	0.1309	0.3164
Mycobacterium leprae	THIOREDOXIN TRXC (TRX) (MPT46)	0.0041	0.0213	0.006
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0041	0.0213	0.2197
Trypanosoma cruzi	trypanothione reductase, putative	0.0155	0.1309	0.3164
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0041	0.0213	0.0501
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0117	0.0945	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0133	0.1101	0.267
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0768	0.1852
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0041	0.0213	0.0206
Mycobacterium ulcerans	NADH dehydrogenase Ndh	0.0041	0.0213	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0173	0.019
Schistosoma mansoni	aldehyde dehydrogenase	0.0334	0.3034	0.3141
Schistosoma mansoni	hypothetical protein	0.0049	0.0284	0.0294
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0334	0.3034	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0768	0.0795
Plasmodium vivax	ferrodoxin reductase, putative	0.0041	0.0213	0.0517
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0041	0.0213	0.2197
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0155	0.1309	0.3164
Toxoplasma gondii	exonuclease III APE	0.002	0.0007	0.0018
Schistosoma mansoni	hypothetical protein	0.0049	0.0284	0.0294
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0007	0.0017
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0155	0.1309	1
Echinococcus multilocularis	pyruvate kinase	0.0029	0.0098	0.0237
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0155	0.1309	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0133	0.1101	0.2653
Plasmodium vivax	thioredoxin reductase, putative	0.0448	0.4122	1
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0041	0.0213	0.0206
Schistosoma mansoni	patched 1	0.005	0.0301	0.0312
Brugia malayi	NADPH:adrenodoxin oxidoreductase, mitochondrial precursor	0.0041	0.0213	0.0235
Wolbachia endosymbiont of Brugia malayi	thioredoxin reductase	0.0041	0.0213	0.1583
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0041	0.0213	0.0206
Wolbachia endosymbiont of Brugia malayi	thioredoxin reductase	0.0041	0.0213	0.1583
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0128	0.1053	0.2539
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0041	0.0213	0.0517
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0155	0.1309	0.3164
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0041	0.0213	0.0206
Trichomonas vaginalis	glutamate synthase, putative	0.0041	0.0213	0.0206
Mycobacterium ulcerans	NADH dehydrogenase Ndh1	0.0041	0.0213	0.0681
Brugia malayi	Pre-SET motif family protein	0.093	0.8764	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0117	0.0945	0.2278
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0155	0.1309	0.1355
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0155	0.1309	0.3164
Plasmodium falciparum	thioredoxin reductase	0.0155	0.1309	0.3176
Schistosoma mansoni	hypothetical protein	0.0041	0.0213	0.0221
Plasmodium falciparum	pyruvate kinase	0.0037	0.0173	0.042
Schistosoma mansoni	sulfide quinone reductase	0.0041	0.0213	0.0221
Trichomonas vaginalis	pyruvate kinase, putative	0.0037	0.0173	0.0166
Entamoeba histolytica	pyruvate kinase, putative	0.0026	0.0066	0.0621
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0614	0.5726	0.8392
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0155	0.1309	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0133	0.1101	0.1139
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0614	0.5726	0.8392
Mycobacterium ulcerans	NADPH:adrenodoxin oxidoreductase FprB	0.0041	0.0213	0.0681
Mycobacterium ulcerans	NADPH dependent 2,4-dienoyl-CoA reductase FadH	0.0041	0.0213	0.0681
Mycobacterium tuberculosis	Possible dehydrogenase/reductase	0.0041	0.0213	0.0302
Trypanosoma cruzi	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0041	0.0213	0.0501
Giardia lamblia	Thioredoxin reductase	0.0041	0.0213	0.1629
Schistosoma mansoni	ap endonuclease	0.002	0.0007	0.0008
Toxoplasma gondii	selenide, water dikinase	0.0041	0.0213	0.0517
Brugia malayi	CHE-14 protein	0.005	0.0301	0.0336
Plasmodium falciparum	NAD(P)H-dependent glutamate synthase, putative	0.0041	0.0213	0.0517
Echinococcus granulosus	expressed conserved protein	0.011	0.0877	0.2114
Echinococcus multilocularis	apoptosis inducing factor 1 mitochondrial	0.0041	0.0213	0.0514
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0114	0.0913	0.1035
Plasmodium falciparum	type II NADH:ubiquinone oxidoreductase	0.0041	0.0213	0.0517
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0099	0.0768	0.0869
Giardia lamblia	Pyruvate kinase	0.0037	0.0173	0.1323
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0007	0.0017
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0133	0.1101	0.1139
Schistosoma mansoni	hypothetical protein	0.0049	0.0284	0.0294
Trichomonas vaginalis	glutathione reductase, putative	0.0155	0.1309	0.1303
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0155	0.1309	0.1911
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0155	0.1309	0.3176
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0213	0.0681
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.093	0.8764	1
Echinococcus granulosus	apoptosis inducing factor 1 mitochondrial	0.0041	0.0213	0.0514
Treponema pallidum	NADH oxidase	0.0155	0.1309	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0133	0.1101	0.2653
Mycobacterium tuberculosis	NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase)	0.0041	0.0213	0.0302
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0155	0.1309	0.3164
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0155	0.1309	0.3164
Brugia malayi	glutamate synthase	0.0041	0.0213	0.0235
Echinococcus multilocularis	glutamate synthase	0.0041	0.0213	0.0514
Mycobacterium tuberculosis	Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate	0.0041	0.0213	0.0302
Trypanosoma cruzi	pyridine nucleotide-disulphide oxidoreductase, putative	0.0041	0.0213	0.0501
Brugia malayi	glutathione reductase	0.0448	0.4122	0.4699
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0155	0.1309	0.3164
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0041	0.0213	0.0517
Loa Loa (eye worm)	thioredoxin reductase	0.0448	0.4122	0.4699
Plasmodium vivax	pyruvate kinase, putative	0.0037	0.0173	0.042
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0066	0.0067
Mycobacterium ulcerans	glutamate synthase subunit beta	0.0041	0.0213	0.0681
Schistosoma mansoni	glutamate synthase	0.0041	0.0213	0.0221
Leishmania major	hypothetical protein, conserved	0.0041	0.0213	0.0501
Loa Loa (eye worm)	glutathione reductase	0.0448	0.4122	0.4699
Echinococcus granulosus	Protein patched homolog 1	0.005	0.0301	0.0726
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0768	0.1852
Mycobacterium tuberculosis	Probable dehydrogenase	0.0614	0.5726	0.8392
Trypanosoma brucei	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0041	0.0213	0.0501
Entamoeba histolytica	disulphide oxidoreductase, putative	0.0041	0.0213	0.2197
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0334	0.3034	0.7314
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0155	0.1309	0.3156
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0155	0.1309	0.3164
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1101	0.1249
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0945	0.1071
Schistosoma mansoni	glutamate synthase	0.0041	0.0213	0.0221
Echinococcus granulosus	pyridine nucleotide disulfide oxidoreductase	0.0041	0.0213	0.0514
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0041	0.0213	0.0235
Echinococcus multilocularis	protein dispatched 1	0.0057	0.037	0.0891
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0041	0.0213	0.0514
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0041	0.0213	0.0514
Mycobacterium ulcerans	NADH dehydrogenase	0.0041	0.0213	0.0681
Echinococcus granulosus	glutamate synthase	0.0041	0.0213	0.0514
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0213	0.0501
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0155	0.1309	0.3176
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0041	0.0213	0.0514
Trichomonas vaginalis	dihydrolipoamide dehydrogenase, putative	0.0041	0.0213	0.0206
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0334	0.3034	0.4442
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0213	0.0501
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0037	0.0173	0.0403
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0155	0.1309	0.3164
Schistosoma mansoni	glutamate synthase	0.0041	0.0213	0.0221
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0301	0.0294
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0099	0.0768	0.0869
Loa Loa (eye worm)	hypothetical protein	0.005	0.0301	0.0336
Schistosoma mansoni	disulfide oxidoreductase	0.0041	0.0213	0.0221
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0334	0.3034	0.7314
Plasmodium vivax	glutathione reductase, putative	0.0448	0.4122	1
Trypanosoma cruzi	2,4-dienoyl-coa reductase-like protein, putative	0.0041	0.0213	0.0501
Toxoplasma gondii	non-proton pumping type-II NADH dehydrogenase I	0.0041	0.0213	0.0517
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0768	0.1852
Mycobacterium ulcerans	NADPH:adrenodoxin oxidoreductase FprA	0.0041	0.0213	0.0681
Brugia malayi	Pre-SET motif family protein	0.0133	0.1101	0.1249
Loa Loa (eye worm)	pyruvate kinase	0.0037	0.0173	0.019
Leishmania major	2,4-dienoyl-coa reductase-like protein	0.0041	0.0213	0.0501
Trichomonas vaginalis	mercuric reductase, putative	0.0155	0.1309	0.1303
Loa Loa (eye worm)	pyruvate kinase	0.0037	0.0173	0.019
Mycobacterium ulcerans	monoxygenase	0.0041	0.0213	0.0681
Toxoplasma gondii	pyruvate kinase PyK1	0.0037	0.0173	0.042
Schistosoma mansoni	pyruvate kinase	0.0037	0.0173	0.0179
Mycobacterium leprae	Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate	0.0041	0.0213	0.006
Mycobacterium leprae	PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE)	0.0041	0.0213	0.006
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0334	0.3034	1
Brugia malayi	Thioredoxin reductase	0.0448	0.4122	0.4699
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0728	0.6822	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0155	0.1309	0.3176
Trypanosoma cruzi	NADH dehydrogenase, putative	0.0041	0.0213	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0213	0.0235
Mycobacterium tuberculosis	Probable reductase	0.0614	0.5726	0.8392
Mycobacterium tuberculosis	Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase)	0.0041	0.0213	0.0302
Leishmania major	NADH dehydrogenase, putative	0.0041	0.0213	0.0501
Echinococcus granulosus	pyruvate kinase	0.0037	0.0173	0.0418
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0155	0.1309	1
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0041	0.0213	0.1629
Schistosoma mansoni	hypothetical protein	0.0049	0.0284	0.0294
Echinococcus multilocularis	Niemann Pick C1 protein	0.0168	0.1429	0.3445
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0007	0.0055
Echinococcus multilocularis	thioredoxin glutathione reductase	0.045	0.4149	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0007	0.0018
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0041	0.0213	0.0206
Echinococcus multilocularis	expressed conserved protein	0.011	0.0877	0.2114
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0155	0.1309	0.1487
Trichomonas vaginalis	glutamate synthase, putative	0.0041	0.0213	0.0206
Treponema pallidum	thioredoxin reductase (trxB)	0.0041	0.0213	0.1583
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0155	0.1309	0.3164

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 79 %	Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)	ChEMBL.	9934461

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.

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External resources for this compound

ChEMBL: CHEMBL608935

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1126088