TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 372.395 | Formula: C18H16N2O5S
H donors: 0 H acceptors: 2 LogP: 3.49 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc(c1OC)OC)c1nnsc1c1ccc2c(c1)OCO2
InChi: 1S/C18H16N2O5S/c1-21-14-7-11(8-15(22-2)17(14)23-3)16-18(26-20-19-16)10-4-5-12-13(6-10)25-9-24-12/h4-8H,9H2,1-3H3
InChiKey: WEPITKPUNHSFPA-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

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
Echinococcus multilocularis	lamin	0.0031	0.0088	0.0559
Schistosoma mansoni	DNA helicase recq5	0.001	0.0018	0.0116
Schistosoma mansoni	glutamate synthase	0.0005	0.0001	0.0006
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0015	0.0034	0.0214
Mycobacterium tuberculosis	Probable oxidoreductase	0.014	0.0446	0.0446
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0005	0.0001	0.0043
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0228	0.1463
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0088	0.3834
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0086	0.0268	0.1712
Echinococcus granulosus	intermediate filament protein	0.0031	0.0088	0.0559
Echinococcus granulosus	netrin receptor unc 5	0.0017	0.004	0.0248
Schistosoma mansoni	hypothetical protein	0.0017	0.004	0.0253
Brugia malayi	Protein kinase domain containing protein	0.0017	0.004	0.17
Echinococcus granulosus	tar DNA binding protein	0.0074	0.0228	0.1458
Schistosoma mansoni	sulfide quinone reductase	0.0005	0.0001	0.0006
Trypanosoma brucei	trypanothione reductase	0.0055	0.0166	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0055	0.0166	0.1061
Echinococcus multilocularis	netrin receptor unc 5	0.0017	0.004	0.0248
Brugia malayi	Thioredoxin reductase	0.0055	0.0166	0.7278
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0012	0.0069
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0018	0.011
Echinococcus granulosus	lamin	0.0031	0.0088	0.0559
Onchocerca volvulus	Netrin receptor homolog	0.0017	0.004	0.4115
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0009	0.127
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0056	0.3353
Schistosoma mansoni	ankyrin 23/unc44	0.0017	0.004	0.0253
Brugia malayi	Hypothetical 22.2 kDa protein C28F5.2 in chromosome II, putative	0.001	0.0017	0.0699
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0014	0.0031	0.1303
Echinococcus multilocularis	geminin	0.0197	0.0637	0.408
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0017	0.004	0.17
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0019	0.0047	0.204
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0009	0.127
Mycobacterium leprae	Isocitrate lyase	0.1418	0.4679	0.4679
Mycobacterium tuberculosis	Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl)	0.3025	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0009	0.127
Echinococcus multilocularis	tar DNA binding protein	0.0074	0.0228	0.1458
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0019	0.0047	0.2803
Echinococcus granulosus	cpg binding protein	0.0035	0.0101	0.0643
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0017	0.004	0.0248
Echinococcus multilocularis	cpg binding protein	0.0035	0.0101	0.0643
Entamoeba histolytica	recQ family DNA helicase	0.0005	0.0001	0.0241
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0047	0.2803
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0126	0.04	0.0399
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0047	0.2803
Mycobacterium tuberculosis	Probable reductase	0.0126	0.04	0.0399
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0019	0.0047	0.2803
Brugia malayi	hypothetical protein	0.001	0.0017	0.0699
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0088	0.0564
Loa Loa (eye worm)	globin family protein	0.001	0.0017	0.0699
Brugia malayi	Uncoordinated protein 44	0.0017	0.004	0.17
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0086	0.0268	0.1712
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0018	0.011
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0005	0.0001	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0032	0.1385
Loa Loa (eye worm)	globin family protein	0.001	0.0017	0.0699
Loa Loa (eye worm)	RNA binding protein	0.0074	0.0228	1
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0228	0.1463
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0028	0.1642
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0028	0.415
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0009	0.127
Schistosoma mansoni	globin X	0.001	0.0017	0.0108
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0047	0.2803
Schistosoma mansoni	glutamate synthase	0.0005	0.0001	0.0006
Onchocerca volvulus		0.001	0.0017	0.1693
Onchocerca volvulus		0.0031	0.0088	0.9281
Mycobacterium tuberculosis	Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl)	0.3025	1	1
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0018	0.075
Schistosoma mansoni	sulfide quinone reductase	0.0005	0.0001	0.0006
Schistosoma mansoni	hypothetical protein	0.0197	0.0637	0.4083
Brugia malayi	Death domain containing protein	0.0017	0.004	0.17
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0018	0.0769
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0055	0.0166	0.1061
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0017	0.004	0.2353
Onchocerca volvulus		0.0033	0.0095	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0019	0.0047	0.2803
Schistosoma mansoni	hypothetical protein	0.001	0.0017	0.0108
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0019	0.0047	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0034	0.1469
Plasmodium falciparum	thioredoxin reductase	0.0019	0.0047	0.2803
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0015	0.0034	0.0214
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0699
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0018	0.011
Brugia malayi	TAR-binding protein	0.0074	0.0228	1
Echinococcus multilocularis	lamin dm0	0.0031	0.0088	0.0559
Brugia malayi	intermediate filament protein	0.0031	0.0088	0.3834
Echinococcus granulosus	geminin	0.0197	0.0637	0.408
Brugia malayi	glutathione reductase	0.0055	0.0166	0.7278
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0228	0.1463
Plasmodium falciparum	glutathione reductase	0.0019	0.0047	0.2803
Echinococcus multilocularis	bloom syndrome protein	0.0025	0.0066	0.042
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0019	0.0047	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0126	0.04	0.0399
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0009	0.127
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0019	0.0047	0.2808
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0228	0.1463
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0019	0.0047	0.0046
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0088	0.3834
Onchocerca volvulus		0.001	0.0017	0.1693
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0019	0.0047	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0009	0.127
Echinococcus granulosus	bloom syndrome protein	0.0025	0.0066	0.042
Loa Loa (eye worm)	thioredoxin reductase	0.0055	0.0166	0.7278
Trichomonas vaginalis	DNA helicase recq1, putative	0.0025	0.0066	1
Onchocerca volvulus	Globin homolog	0.001	0.0017	0.1693
Schistosoma mansoni	disulfide oxidoreductase	0.0005	0.0001	0.0006
Echinococcus multilocularis	Ankyrin	0.0017	0.004	0.0251
Trichomonas vaginalis	DNA helicase recq, putative	0.0025	0.0066	1
Toxoplasma gondii	thioredoxin reductase	0.0055	0.0166	0.8577
Toxoplasma gondii	NADPH-glutathione reductase	0.0019	0.0047	0.2404
Plasmodium vivax	NAD(P)H-dependent glutamate synthase, putative	0.0005	0.0001	0.0007
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0699
Mycobacterium tuberculosis	Probable monooxygenase	0.001	0.0017	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0032	0.1385
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0009	0.127
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0009	0.127
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0019	0.0047	0.2803
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0019	0.0047	0.0046
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0018	0.0891
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0019	0.0047	0.2803
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0005	0.0001	0.0043
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0018	0.0112
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0028	1
Entamoeba histolytica	disulphide oxidoreductase, putative	0.0005	0.0001	0.0043
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0088	0.3834
Onchocerca volvulus		0.001	0.0017	0.1693
Plasmodium vivax	type II NADH:ubiquinone oxidoreductase, putative	0.0005	0.0001	0.0007
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0028	0.1642
Onchocerca volvulus		0.001	0.0017	0.1693
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0018	0.0756
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0019	0.0047	0.2404
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0009	0.127
Schistosoma mansoni	lamin	0.0031	0.0088	0.0564
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0063	0.0194	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.004	0.1711
Schistosoma mansoni	glutamate synthase	0.0005	0.0001	0.0006
Echinococcus granulosus	lamin dm0	0.0031	0.0088	0.0559
Treponema pallidum	NADH oxidase	0.0019	0.0047	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0039	0.1979
Entamoeba histolytica	pyridine nucleotide-disulfide oxidoreductase family protein	0.0005	0.0001	0.0043
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0005	0.0001	0.0033
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0018	0.0756
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0005	0.0001	0.0043
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.0018	0.1039
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0018	0.0756
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0095	0.4131
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0126	0.04	0.0399
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0699
Brugia malayi	hypothetical protein	0.001	0.0017	0.0699
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0018	0.011
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0019	0.0047	0.0297
Echinococcus multilocularis	dnaJ subfamily B	0.0476	0.1561	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.014	0.0446	0.0446
Loa Loa (eye worm)	RecQ helicase	0.0025	0.0066	0.288
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0019	0.0047	0.2803
Onchocerca volvulus		0.0031	0.0088	0.9281
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0699
Onchocerca volvulus		0.001	0.0017	0.1693
Loa Loa (eye worm)	hypothetical protein	0.001	0.0018	0.0756
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0019	0.0047	0.2803
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0699
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0012	0.0069
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0005	0.0001	0.0033
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0071	0.0219	0.1403
Echinococcus granulosus	death domain containing protein	0.0017	0.004	0.0248
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0126	0.04	0.0399
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0019	0.0047	0.2803
Brugia malayi	RNA recognition motif domain containing protein	0.0074	0.0228	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0014	0.0031	0.1303
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0009	0.127
Mycobacterium ulcerans	isocitrate lyase AceAb	0.3025	1	1
Plasmodium falciparum	glutathione reductase	0.0055	0.0166	1
Trichomonas vaginalis	mercuric reductase, putative	0.0019	0.0047	0.7085
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0018	0.3705
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0017	0.004	0.17
Schistosoma mansoni	lamin	0.0031	0.0088	0.0564
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0055	0.0166	0.0166
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0012	0.0069
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0047	0.2803
Plasmodium vivax	ferrodoxin reductase, putative	0.0005	0.0001	0.0007
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0017	0.004	0.17
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0126	0.04	0.0399
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0005	0.0001	0.0028
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0019	0.0047	0.2803
Echinococcus granulosus	Ankyrin	0.0017	0.004	0.0251
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0009	0.127
Schistosoma mansoni	hypothetical protein	0.0005	0.0001	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0001	0.0024
Schistosoma mansoni	netrin receptor unc5	0.0017	0.004	0.0253
Leishmania major	adenylate cyclase-like protein	0.001	0.0017	0.0961
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0047	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0009	0.127
Treponema pallidum	ATP-dependent DNA helicase	0.0005	0.0001	0.0117
Schistosoma mansoni	DNA helicase recq1	0.001	0.0018	0.0116
Schistosoma mansoni	myoglobin 1	0.001	0.0017	0.0108
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0019	0.0047	0.0046
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0012	0.0069
Brugia malayi	Bloom's syndrome protein homolog	0.0025	0.0066	0.288
Schistosoma mansoni	hypothetical protein	0.0476	0.1561	1
Leishmania major	trypanothione reductase	0.0055	0.0166	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.004	0.1711
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0074	0.0228	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0019	0.0047	0.2803
Loa Loa (eye worm)	hypothetical protein	0.002	0.005	0.2148
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0009	0.127
Brugia malayi	Globin family protein	0.001	0.0017	0.0699
Trichomonas vaginalis	helicase, putative	0.0008	0.0009	0.127
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0009	0.127
Plasmodium vivax	thioredoxin reductase, putative	0.0055	0.0166	1
Loa Loa (eye worm)	TAR-binding protein	0.0074	0.0228	1
Schistosoma mansoni	cpg binding protein	0.0035	0.0101	0.0648
Brugia malayi	RNA binding protein	0.0074	0.0228	1
Mycobacterium tuberculosis	Isocitrate lyase Icl (isocitrase) (isocitratase)	0.3025	1	1
Brugia malayi	Globin family protein	0.001	0.0017	0.0699
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0047	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0047	0.2803
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0019	0.0047	0.0297
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0017	0.004	0.0248
Schistosoma mansoni	blooms syndrome DNA helicase	0.002	0.0049	0.0314
Loa Loa (eye worm)	glutathione reductase	0.0055	0.0166	0.7278
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0228	0.1463
Schistosoma mansoni	hypothetical protein	0.0197	0.0637	0.4083
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0012	0.0074
Echinococcus multilocularis	musashi	0.0031	0.0088	0.0559
Brugia malayi	Globin family protein	0.001	0.0017	0.0699
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0019	0.0047	0.2803
Schistosoma mansoni	cpg binding protein	0.0033	0.0095	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0086	0.375
Schistosoma mansoni	blooms syndrome DNA helicase	0.0005	0.0001	0.0009
Mycobacterium ulcerans	isocitrate lyase Icl	0.3025	1	1
Plasmodium vivax	glutathione reductase, putative	0.0055	0.0166	1
Brugia malayi	hypothetical protein	0.001	0.0017	0.0699
Brugia malayi	hypothetical protein	0.001	0.0017	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0088	0.3834
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0019	0.0047	0.2803
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0009	0.127
Echinococcus granulosus	dnaJ subfamily B	0.0476	0.1561	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.014	0.0446	0.0446
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0009	0.127
Mycobacterium ulcerans	monooxygenase	0.001	0.0017	0.0016
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0018	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0009	0.127
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0018	0.0891
Schistosoma mansoni	cpg binding protein	0.0035	0.0101	0.0648
Trypanosoma cruzi	trypanothione reductase, putative	0.0055	0.0166	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0019	0.0047	0.0046
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0126	0.04	0.0399
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0019	0.0047	0.2808
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0019	0.0047	0.2803
Plasmodium falciparum	thioredoxin reductase	0.0055	0.0166	1
Entamoeba histolytica	thioredoxin reductase, putative	0.0005	0.0001	0.0043
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0017	0.004	0.0256
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.014	0.0446	0.0446
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0019	0.0047	0.2803
Trichomonas vaginalis	glutathione reductase, putative	0.0019	0.0047	0.7085
Loa Loa (eye worm)	hypothetical protein	0.0017	0.004	0.172
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0095	0.4131
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0028	0.1642

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 50.2 nM	Antiproliferative activity against human HL60 cells	ChEMBL.	17174089
IC50 (functional)	= 50.2 nM	Antiproliferative activity against human HL60 cells	ChEMBL.	17174089
IC50 (ADMET)	= 73.9 nM	Antiproliferative activity against human HMEC1 cells	ChEMBL.	17174089
IC50 (functional)	= 86.6 nM	Antiproliferative activity against human HCT116 cells	ChEMBL.	17174089
IC50 (functional)	= 86.6 nM	Antiproliferative activity against human HCT116 cells	ChEMBL.	17174089

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17174089

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 440502