TDR Targets

Basic information

Technical information

TDR Targets ID: 205634
Name: N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy] thieno[2,3-c]pyridine-2-carboxamide
MW: 364.421 | Formula: C19H16N4O2S
H donors: 1 H acceptors: 3 LogP: 2.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)c1sc2c(c1)c(cnc2)Oc1ccc(cc1)c1cncn1C
InChi: 1S/C19H16N4O2S/c1-20-19(24)17-7-14-16(9-21-10-18(14)26-17)25-13-5-3-12(4-6-13)15-8-22-11-23(15)2/h3-11H,1-2H3,(H,20,24)
InChiKey: LQGWLGOZCRRKCJ-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

N-methyl-4-[4-(3-methyl-4-imidazolyl)phenoxy]-2-thieno[2,3-c]pyridinecarboxamide
N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[5,4-c]pyridine-2-carboxamide
N-methyl-4-[4-(3-methyl-4-imidazolyl)phenoxy]-2-thieno[5,4-c]pyridinecarboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	selectin E	Starlite/ChEMBL	References
Homo sapiens	intercellular adhesion molecule 1	Starlite/ChEMBL	References
Trypanosoma cruzi	trypanothione reductase, putative	Curated by TDR Targets	References
Homo sapiens	vascular cell adhesion molecule 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium knowlesi	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	thioredoxin 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
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	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
Loa Loa (eye worm)	glutathione 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
Plasmodium falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania donovani	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	Glutathione reductase, related	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione 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
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	thioredoxin 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
Echinococcus multilocularis	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma congolense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania major	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	glutathione reductase, 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
Trypanosoma brucei gambiense	trypanothione 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
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
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Leishmania mexicana	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania braziliensis	trypanothione reductase	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
Echinococcus granulosus	c4b binding protein beta chain	selectin E	610 aa	551 aa	22.1 %
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 cruzi	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Loa Loa (eye worm)	thioredoxin reductase	0.0212	1	1
Leishmania major	trypanothione reductase	0.0212	1	1
Trypanosoma cruzi	hexokinase, putative	0.0092	0.3841	0.3824
Plasmodium falciparum	NAD(P)H-dependent glutamate synthase, putative	0.0019	0.0088	0.0061
Schistosoma mansoni	glutamate synthase	0.0019	0.0088	0.0062
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0073	0.2867	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0026	0.0026
Echinococcus granulosus	dna polymerase kappa	0.0045	0.1389	0.1389
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0073	0.2867	0.2847
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0073	0.2867	0.2847
Trypanosoma cruzi	hexokinase, putative	0.0092	0.3841	0.3824
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0073	0.2867	0.2847
Mycobacterium tuberculosis	Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate	0.0019	0.0088	0.0061
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0073	0.2867	0.2847
Trypanosoma brucei	DNA polymerase kappa, putative	0.0031	0.0673	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0596	0.0596
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0019	0.0088	0.0061
Toxoplasma gondii	NADH dehydrogenase (NDH2-II)	0.0019	0.0088	0.0061
Echinococcus granulosus	apoptosis inducing factor 1 mitochondrial	0.0019	0.0088	0.0088
Brugia malayi	hypothetical protein	0.0029	0.0589	0.0565
Trypanosoma brucei	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0019	0.0088	0.0061
Schistosoma mansoni	DNA polymerase eta	0.0074	0.291	0.2892
Echinococcus granulosus	thioredoxin glutathione reductase	0.0212	1	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0073	0.2867	0.2847
Plasmodium vivax	thioredoxin reductase, putative	0.0212	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0045	0.1389	0.1365
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.0088
Mycobacterium ulcerans	DNA polymerase IV	0.0045	0.1389	0.4682
Loa Loa (eye worm)	hexokinase type II	0.0092	0.3841	0.3841
Plasmodium falciparum	hexokinase	0.0092	0.3841	0.3824
Giardia lamblia	DINP protein human, muc B family	0.0045	0.1389	0.4682
Trypanosoma brucei	unspecified product	0.0045	0.1389	0.1365
Echinococcus granulosus	dna polymerase eta	0.0074	0.291	0.291
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0589	0.0563
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0073	0.2867	0.2847
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0019	0.0088	0.0062
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0026	0.0026
Brugia malayi	glutamate synthase	0.0019	0.0088	0.0062
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0045	0.1389	0.1389
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0027	0.0027
Brugia malayi	hexokinase	0.0092	0.3841	0.3825
Mycobacterium tuberculosis	Probable thioredoxin reductase TrxB2 (TRXR) (TR)	0.0019	0.0088	0.0061
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0043	0.1321	0.1297
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0019	0.0088	0.0061
Leishmania major	hexokinase, putative	0.0092	0.3841	0.3824
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0073	0.2867	0.2847
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0027	0.0027
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0212	1	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0045	0.1389	0.1389
Mycobacterium tuberculosis	Possible dehydrogenase/reductase	0.0019	0.0088	0.0061
Leishmania major	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Schistosoma mansoni	hexokinase	0.0092	0.3841	0.3825
Mycobacterium tuberculosis	Probable reductase	0.0019	0.0088	0.0061
Brugia malayi	Hexokinase family protein	0.0029	0.0556	0.0531
Schistosoma mansoni	hypothetical protein	0.0196	0.9204	0.9202
Loa Loa (eye worm)	hypothetical protein	0.0063	0.2328	0.2328
Brugia malayi	ImpB/MucB/SamB family protein	0.0074	0.291	0.2892
Brugia malayi	NADPH:adrenodoxin oxidoreductase, mitochondrial precursor	0.0019	0.0088	0.0062
Echinococcus granulosus	NADPH:adrenodoxin oxidoreductase	0.0019	0.0088	0.0088
Echinococcus multilocularis	hexokinase	0.0092	0.3841	0.3841
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0026	0.0026
Echinococcus multilocularis	apoptosis inducing factor 1 mitochondrial	0.0019	0.0088	0.0088
Trypanosoma cruzi	hypothetical protein, conserved	0.0019	0.0088	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0213	0.0213
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0045	0.1389	0.1365
Trypanosoma brucei	DNA polymerase kappa, putative	0.0031	0.0673	0.0648
Echinococcus multilocularis	geminin	0.0196	0.9204	0.9204
Loa Loa (eye worm)	glutathione reductase	0.0212	1	1
Echinococcus multilocularis	hexokinase type 2	0.0092	0.3841	0.3841
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0019	0.0088	0.0061
Toxoplasma gondii	thioredoxin reductase	0.0212	1	1
Plasmodium vivax	NAD(P)H-dependent glutamate synthase, putative	0.0019	0.0088	0.0061
Trypanosoma brucei	unspecified product	0.0031	0.0673	0.0648
Schistosoma mansoni	glutamate synthase	0.0019	0.0088	0.0062
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0045	0.1389	0.4682
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0027	0.0027
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Trichomonas vaginalis	glutathione reductase, putative	0.0073	0.2867	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0589	0.0563
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0045	0.1389	0.1389
Brugia malayi	Hexokinase family protein	0.0058	0.2068	0.2048
Echinococcus granulosus	hexokinase type 2	0.0092	0.3841	0.3841
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0045	0.1389	0.1367
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0019	0.0088	0.0061
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0073	0.2867	0.2847
Echinococcus granulosus	glutamate synthase	0.0019	0.0088	0.0088
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0073	0.2867	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.291	0.291
Plasmodium falciparum	glutathione reductase	0.0073	0.2867	0.2847
Trypanosoma brucei	hypothetical protein, conserved	0.0019	0.0088	0.0061
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0073	0.2867	0.2847
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.2061	0.2041
Trypanosoma cruzi	pyridine nucleotide-disulphide oxidoreductase, putative	0.0019	0.0088	0.0061
Leishmania major	hexokinase, putative	0.0092	0.3841	0.3824
Echinococcus granulosus	hexokinase	0.0092	0.3841	0.3841
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0589	0.0563
Plasmodium falciparum	thioredoxin reductase	0.0073	0.2867	0.2847
Trichomonas vaginalis	DNA polymerase eta, putative	0.0045	0.1389	0.4682
Schistosoma mansoni	hypothetical protein	0.0039	0.1119	0.1096
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0027	0.0027
Echinococcus multilocularis	hexokinase	0.0092	0.3841	0.3841
Mycobacterium tuberculosis	NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase)	0.0019	0.0088	0.0061
Trypanosoma cruzi	trypanothione reductase, putative	0.0212	1	1
Trypanosoma brucei	hexokinase	0.0092	0.3841	0.3824
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0019	0.0088	0.0061
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0073	0.2867	0.2847
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0073	0.2867	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0045	0.1389	0.1367
Onchocerca volvulus		0.0058	0.2068	0.5277
Toxoplasma gondii	non-proton pumping type-II NADH dehydrogenase I	0.0019	0.0088	0.0061
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0073	0.2867	0.2847
Schistosoma mansoni	disulfide oxidoreductase	0.0019	0.0088	0.0062
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0019	0.0088	0.0061
Trypanosoma cruzi	2,4-dienoyl-coa reductase fadh1, putative	0.0019	0.0088	0.0061
Echinococcus granulosus	hexokinase	0.0092	0.3841	0.3841
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0596	0.0596
Echinococcus granulosus	sulfide:quinone oxidoreductase	0.0019	0.0088	0.0088
Trypanosoma cruzi	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0019	0.0088	0.0061
Onchocerca volvulus	Hexokinase homolog	0.0058	0.2068	0.5277
Leishmania major	hypothetical protein, conserved	0.0019	0.0088	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1119	0.1119
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0045	0.1389	0.3467
Treponema pallidum	NADH oxidase	0.0073	0.2867	0.7404
Echinococcus multilocularis	dna polymerase kappa	0.0045	0.1389	0.1389
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0073	0.2867	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0019	0.0088	0.0088
Trypanosoma cruzi	NADH dehydrogenase, putative	0.0019	0.0088	0.0061
Mycobacterium tuberculosis	Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase)	0.0019	0.0088	0.0061
Entamoeba histolytica	hexokinase 2	0.0092	0.3841	1
Loa Loa (eye worm)	hexokinase	0.0092	0.3841	0.3841
Brugia malayi	hexokinase type II	0.0029	0.0596	0.0572
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0045	0.1389	0.1365
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0073	0.2867	0.2867
Trypanosoma brucei	DNA polymerase eta, putative	0.0074	0.291	0.2891
Plasmodium vivax	hexokinase, putative	0.0092	0.3841	0.3824
Trypanosoma cruzi	DNA polymerase eta, putative	0.0074	0.291	0.2891
Schistosoma mansoni	hypothetical protein	0.0196	0.9204	0.9202
Onchocerca volvulus		0.0092	0.3841	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0589	0.0563
Trypanosoma brucei	DNA polymerase IV, putative	0.0045	0.1389	0.1365
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0027	0.0027
Loa Loa (eye worm)	hexokinase	0.0092	0.3841	0.3841
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0073	0.2867	0.2847
Loa Loa (eye worm)	hypothetical protein	0.0058	0.2061	0.2061
Trichomonas vaginalis	mercuric reductase, putative	0.0073	0.2867	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0073	0.2867	0.2848
Brugia malayi	Thioredoxin reductase	0.0212	1	1
Echinococcus granulosus	geminin	0.0196	0.9204	0.9204
Echinococcus granulosus	pyridine nucleotide disulfide oxidoreductase	0.0019	0.0088	0.0088
Trypanosoma cruzi	hypothetical protein, conserved	0.0019	0.0088	0.0061
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Trypanosoma brucei	unspecified product	0.0031	0.0673	0.0648
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0026	0.0026
Loa Loa (eye worm)	programmed cell death 8	0.0019	0.0088	0.0088
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0073	0.2867	0.2847
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0054	0.1862	0.1841
Plasmodium falciparum	glutathione reductase	0.0212	1	1
Leishmania major	hypothetical protein, conserved	0.0019	0.0088	0.0061
Mycobacterium tuberculosis	Probable dehydrogenase	0.0019	0.0088	0.0061
Mycobacterium tuberculosis	Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase)	0.0019	0.0088	0.0061
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0027	0.0002
Leishmania major	DNA polymerase eta, putative	0.0074	0.291	0.2891
Loa Loa (eye worm)	pyridine nucleotide-disufhide oxidoreductase	0.0019	0.0088	0.0088
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0073	0.2867	0.2847
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0073	0.2867	0.2847
Schistosoma mansoni	hypothetical protein	0.0019	0.0088	0.0062
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0019	0.0088	0.0062
Leishmania major	hypothetical protein, conserved	0.0029	0.0589	0.0563
Schistosoma mansoni	glutamate synthase	0.0019	0.0088	0.0062
Trypanosoma cruzi	DNA polymerase eta, putative	0.0043	0.1321	0.1297
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0073	0.2867	0.2847
Echinococcus granulosus	hexokinase	0.0092	0.3841	0.3841
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0589	0.0563
Leishmania major	hypothetical protein, conserved	0.0019	0.0088	0.0061
Echinococcus multilocularis	sulfide:quinone oxidoreductase	0.0019	0.0088	0.0088
Trypanosoma brucei	hexokinase	0.0092	0.3841	0.3824
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0073	0.2867	1
Plasmodium vivax	glutathione reductase, putative	0.0212	1	1
Loa Loa (eye worm)	hexokinase	0.0058	0.2068	0.2068
Toxoplasma gondii	selenide, water dikinase	0.0019	0.0088	0.0061
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0073	0.2867	0.2847
Trypanosoma brucei	hexokinase, putative	0.0092	0.3841	0.3824
Plasmodium falciparum	ferrodoxin reductase-like protein	0.0019	0.0088	0.0061
Leishmania major	NADH dehydrogenase, putative	0.0019	0.0088	0.0061
Loa Loa (eye worm)	hexokinase	0.0029	0.0556	0.0556
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0589	0.0563
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0073	0.2867	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.2061	0.2061
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0073	0.2867	0.2848
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0027	0.0027
Leishmania major	2,4-dienoyl-coa reductase-like protein	0.0019	0.0088	0.0061
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0026	0.0026
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0019	0.0088	0.0061
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0589	0.0563
Echinococcus granulosus	GPCR family 2	0.0018	0.0026	0.0026
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Echinococcus multilocularis	glutamate synthase	0.0019	0.0088	0.0088
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0073	0.2867	0.2847
Trypanosoma brucei	2,4-dienoyl-coa reductase-like protein	0.0019	0.0088	0.0061
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0073	0.2867	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0073	0.2867	0.2847
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0027	0.0002
Brugia malayi	hypothetical protein	0.0019	0.0056	0.003
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0019	0.0088	0.0061
Echinococcus multilocularis	pyridine nucleotide disulfide oxidoreductase	0.0019	0.0088	0.0088
Leishmania major	DNA polymerase eta, putative	0.0043	0.1321	0.1297
Toxoplasma gondii	hexokinase	0.0092	0.3841	0.3824
Trypanosoma brucei	NADH dehydrogenase	0.0019	0.0088	0.0061
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0073	0.2867	0.2847
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.1389	0.1367
Treponema pallidum	hexokinase (hxk)	0.0092	0.3841	1
Entamoeba histolytica	hexokinase 1	0.0092	0.3841	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.2061	0.2041
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0073	0.2867	0.2867
Trypanosoma cruzi	NADH dehydrogenase, putative	0.0019	0.0088	0.0061
Trypanosoma cruzi	trypanothione reductase, putative	0.0073	0.2867	0.2847
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0073	0.2867	0.2847
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0045	0.1389	0.1365
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0073	0.2867	0.2847
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0073	0.2867	0.2847
Plasmodium falciparum	thioredoxin reductase	0.0212	1	1
Plasmodium falciparum	type II NADH:ubiquinone oxidoreductase	0.0019	0.0088	0.0061
Echinococcus multilocularis	dna polymerase eta	0.0074	0.291	0.291
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0073	0.2867	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0589	0.0589
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0026	0.0026
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Echinococcus multilocularis	NADPH:adrenodoxin oxidoreductase	0.0019	0.0088	0.0088
Plasmodium vivax	type II NADH:ubiquinone oxidoreductase, putative	0.0019	0.0088	0.0061
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0212	1	1
Toxoplasma gondii	NADPH-glutathione reductase	0.0073	0.2867	0.2847
Echinococcus multilocularis	hexokinase	0.0092	0.3841	0.3841
Onchocerca volvulus		0.0092	0.3841	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0019	0.0088	0.0088
Mycobacterium ulcerans	DNA polymerase IV	0.0045	0.1389	0.4682
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.1119	0.1096
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0054	0.1862	0.1841
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1389	0.1365
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0027	0.0002
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0026	0.0026
Trypanosoma brucei	DNA polymerase kappa, putative	0.0031	0.0673	0.0648
Trypanosoma brucei	DNA polymerase IV, putative	0.0045	0.1389	0.1365
Schistosoma mansoni	sulfide quinone reductase	0.0019	0.0088	0.0062
Leishmania major	2,4-dienoyl-coa reductase fadh1, putative	0.0019	0.0088	0.0061
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0019	0.0088	0.0088
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0027	0.0027
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0019	0.0088	0.0088
Brugia malayi	GCC2 and GCC3 family protein	0.0022	0.0213	0.0188
Plasmodium vivax	ferrodoxin reductase, putative	0.0019	0.0088	0.0061
Onchocerca volvulus		0.0092	0.3841	1
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0073	0.2867	0.2847
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0019	0.0088	0.0061
Trypanosoma cruzi	2,4-dienoyl-coa reductase-like protein, putative	0.0019	0.0088	0.0061
Schistosoma mansoni	sulfide quinone reductase	0.0019	0.0088	0.0062
Brugia malayi	Hexokinase family protein	0.0092	0.3841	0.3825
Trypanosoma brucei	trypanothione reductase	0.0212	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0073	0.2867	0.2847
Trypanosoma cruzi	pyridine nucleotide-disulphide oxidoreductase, putative	0.0019	0.0088	0.0061

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 150 nM	Inhibition of selectin E in human endothelial cells	ChEMBL.	11585452
IC50 (binding)	= 150 nM	Inhibition of selectin E in human endothelial cells	ChEMBL.	11585452
IC50 (binding)	> 180 nM	Inhibition of VCAM-1 in human endothelial cells	ChEMBL.	11585452
IC50 (binding)	> 180 nM	Inhibition of VCAM-1 in human endothelial cells	ChEMBL.	11585452
IC50 (binding)	= 360 nM	Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells	ChEMBL.	11585452
IC50 (binding)	= 360 nM	Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells	ChEMBL.	11585452

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: CHEMBL331055
PubChem: 10904579

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 205634