TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 416.926 | Formula: C23H17ClN4S
H donors: 1 H acceptors: 2 LogP: 7.43 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc(cc1)/C=C/c1sc(n[n+]1c1ccccc1)Nc1ccccc1.[Cl-]
InChi: 1S/C23H17N4S.ClH/c24-17-19-13-11-18(12-14-19)15-16-22-27(21-9-5-2-6-10-21)26-23(28-22)25-20-7-3-1-4-8-20;/h1-16H,(H,25,26);1H/q+1;/p-1/b16-15+;
InChiKey: FGWMGYQHEPHKOV-GEEYTBSJSA-M

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
Plasmodium falciparum	type II NADH:ubiquinone oxidoreductase	0.0082	0.0817	0.0817
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.031	0.3391	0.3338
Loa Loa (eye worm)	thioredoxin reductase	0.0893	1	1
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0082	0.0817	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.016	0.1953
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.031	0.3391	0.3391
Treponema pallidum	NADH oxidase	0.031	0.3391	1
Treponema pallidum	thioredoxin reductase (trxB)	0.0082	0.0817	0.2409
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0082	0.0817	0.2409
Schistosoma mansoni	hypothetical protein	0.0172	0.1837	0.1837
Echinococcus granulosus	sulfide:quinone oxidoreductase	0.0082	0.0817	0.0817
Trypanosoma brucei	2,4-dienoyl-coa reductase-like protein	0.0082	0.0817	0.0817
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0413	0.0413
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.016	0.047
Toxoplasma gondii	thioredoxin reductase	0.0893	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.016	0.0081
Chlamydia trachomatis	thioredoxin reductase	0.0082	0.0817	0.2409
Mycobacterium ulcerans	NADPH:adrenodoxin oxidoreductase FprB	0.0082	0.0817	0.2409
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0082	0.0817	0.2409
Mycobacterium tuberculosis	Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase)	0.0082	0.0817	0.0743
Echinococcus granulosus	glutamate synthase	0.0082	0.0817	0.0817
Mycobacterium ulcerans	NADPH dependent 2,4-dienoyl-CoA reductase FadH	0.0082	0.0817	0.2409
Mycobacterium tuberculosis	Probable thioredoxin reductase TrxB2 (TRXR) (TR)	0.0082	0.0817	0.0743
Plasmodium vivax	thioredoxin reductase, putative	0.0893	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.016	0.016
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.016	0.047
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0082	0.0817	0.0817
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.031	0.3391	0.3391
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.031	0.3391	0.3391
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0413	0.0413
Leishmania major	NADH dehydrogenase, putative	0.0082	0.0817	0.0668
Schistosoma mansoni	disulfide oxidoreductase	0.0082	0.0817	0.0817
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.016	0.047
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0082	0.0817	0.0817
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.031	0.3391	0.3391
Leishmania major	trypanothione reductase	0.0893	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0091
Mycobacterium ulcerans	hypothetical protein	0.0024	0.016	0.047
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.016	0.047
Mycobacterium ulcerans	thioredoxin reductase TrxB2	0.0082	0.0817	0.2409
Leishmania major	hypothetical protein, conserved	0.0082	0.0817	0.0668
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0082	0.0817	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0227	0.2461	0.2461
Wolbachia endosymbiont of Brugia malayi	NADPH-dependent glutamate synthase beta chain	0.0082	0.0817	0.2409
Leishmania major	2,4-dienoyl-coa reductase-like protein	0.0082	0.0817	0.0668
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.016	0.1953
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0413	0.0413
Loa Loa (eye worm)	programmed cell death 8	0.0082	0.0817	0.0817
Mycobacterium ulcerans	NADH dehydrogenase Ndh	0.0082	0.0817	0.2409
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0091	0.0091
Onchocerca volvulus		0.0082	0.0817	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0082	0.0817	0.0817
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0082	0.0817	0.0817
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.016	0.0081
Plasmodium falciparum	glutathione reductase	0.0893	1	1
Echinococcus multilocularis	apoptosis inducing factor 1 mitochondrial	0.0082	0.0817	0.0817
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0091	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0024	0.016	0.016
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0817	0.0817
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.031	0.3391	0.3391
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.031	0.3391	0.3338
Trichomonas vaginalis	glutamate synthase, putative	0.0082	0.0817	0.2409
Trypanosoma cruzi	trypanothione reductase, putative	0.031	0.3391	0.3391
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.031	0.3391	0.3284
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.031	0.3391	0.3391
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.031	0.3391	0.3391
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.016	0.016
Loa Loa (eye worm)	pyridine nucleotide-disufhide oxidoreductase	0.0082	0.0817	0.0817
Echinococcus granulosus	geminin	0.0172	0.1837	0.1837
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0091	0.0267
Mycobacterium ulcerans	hypothetical protein	0.0082	0.0817	0.2409
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0082	0.0817	0.0817
Leishmania major	hypothetical protein, conserved	0.0082	0.0817	0.0668
Mycobacterium leprae	THIOREDOXIN TRXC (TRX) (MPT46)	0.0082	0.0817	0.2409
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0082	0.0817	0.2409
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0082	0.0817	0.2409
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.016	0.047
Trypanosoma brucei	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0082	0.0817	0.0817
Echinococcus multilocularis	sulfide:quinone oxidoreductase	0.0082	0.0817	0.0817
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0091	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0024	0.016	0.016
Leishmania major	hypothetical protein, conserved	0.0082	0.0817	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0024	0.016	0.016
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.031	0.3391	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0413	0.0413
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.031	0.3391	0.3391
Toxoplasma gondii	NADH dehydrogenase (NDH2-II)	0.0082	0.0817	0.0817
Toxoplasma gondii	selenide, water dikinase	0.0082	0.0817	0.0817
Trichomonas vaginalis	glutathione reductase, putative	0.031	0.3391	1
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0082	0.0817	0.0817
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.016	0.047
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0082	0.0817	1
Mycobacterium ulcerans	dehydrogenase	0.0082	0.0817	0.2409
Trypanosoma cruzi	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0082	0.0817	0.0817
Plasmodium falciparum	NAD(P)H-dependent glutamate synthase, putative	0.0082	0.0817	0.0817
Plasmodium falciparum	ferrodoxin reductase-like protein	0.0082	0.0817	0.0817
Mycobacterium tuberculosis	NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase)	0.0082	0.0817	0.0743
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0082	0.0817	0.2409
Giardia lamblia	Glutamate synthase	0.0082	0.0817	0.2409
Entamoeba histolytica	thioredoxin reductase, putative	0.0082	0.0817	1
Trichomonas vaginalis	mercuric reductase, putative	0.031	0.3391	1
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0082	0.0817	0.0817
Brugia malayi	Thioredoxin reductase	0.0893	1	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.031	0.3391	0.3391
Echinococcus multilocularis	glutamate synthase	0.0082	0.0817	0.0817
Toxoplasma gondii	NADPH-glutathione reductase	0.031	0.3391	0.3391
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0893	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0091
Mycobacterium leprae	Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE)	0.0082	0.0817	0.2409
Wolbachia endosymbiont of Brugia malayi	thioredoxin reductase	0.0082	0.0817	0.2409
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.031	0.3391	0.3284
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0091
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.031	0.3391	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.031	0.3391	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.031	0.3391	0.3284
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.016	0.047
Mycobacterium tuberculosis	Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase)	0.0082	0.0817	0.0743
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0413	0.0413
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.016	0.047
Toxoplasma gondii	non-proton pumping type-II NADH dehydrogenase I	0.0082	0.0817	0.0817
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0082	0.0817	0.0817
Mycobacterium leprae	Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate	0.0082	0.0817	0.2409
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0082	0.0817	0.0743
Echinococcus multilocularis	geminin	0.0172	0.1837	0.1837
Mycobacterium ulcerans	NADH dehydrogenase Ndh1	0.0082	0.0817	0.2409
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0082	0.0817	1
Schistosoma mansoni	sulfide quinone reductase	0.0082	0.0817	0.0817
Treponema pallidum	oxidoreductase	0.0082	0.0817	0.2409
Giardia lamblia	NADH oxidase lateral transfer candidate	0.031	0.3391	1
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.031	0.3391	0.3338
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0082	0.0817	0.0817
Trypanosoma cruzi	pyridine nucleotide-disulphide oxidoreductase, putative	0.0082	0.0817	0.0817
Mycobacterium leprae	PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE)	0.0082	0.0817	0.2409
Plasmodium falciparum	thioredoxin reductase	0.0893	1	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.031	0.3391	0.3284
Mycobacterium ulcerans	NADPH:adrenodoxin oxidoreductase FprA	0.0082	0.0817	0.2409
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0413	0.0413
Trypanosoma brucei	NADH dehydrogenase	0.0082	0.0817	0.0817
Schistosoma mansoni	hypothetical protein	0.0172	0.1837	0.1837
Plasmodium vivax	NAD(P)H-dependent glutamate synthase, putative	0.0082	0.0817	0.0817
Entamoeba histolytica	pyridine nucleotide-disulfide oxidoreductase family protein	0.0082	0.0817	1
Brugia malayi	glutamate synthase	0.0082	0.0817	0.0817
Trypanosoma cruzi	hypothetical protein, conserved	0.0082	0.0817	0.0817
Echinococcus granulosus	thioredoxin glutathione reductase	0.0893	1	1
Schistosoma mansoni	hypothetical protein	0.0082	0.0817	0.0817
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.031	0.3391	0.3391
Mycobacterium ulcerans	NADPH:adrenodoxin oxidoreductase FprA	0.0082	0.0817	0.2409
Echinococcus granulosus	NADPH:adrenodoxin oxidoreductase	0.0082	0.0817	0.0817
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0082	0.0817	0.0743
Plasmodium vivax	type II NADH:ubiquinone oxidoreductase, putative	0.0082	0.0817	0.0817
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0227	0.2461	0.2461
Plasmodium falciparum	thioredoxin reductase	0.031	0.3391	0.3391
Mycobacterium tuberculosis	Probable dehydrogenase	0.0082	0.0817	0.0743
Echinococcus multilocularis	NADPH:adrenodoxin oxidoreductase	0.0082	0.0817	0.0817
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.031	0.3391	0.3391
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.031	0.3391	0.3391
Trypanosoma cruzi	NADH dehydrogenase, putative	0.0082	0.0817	0.0817
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0413	0.0413
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.016	0.016
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0413	0.0413
Mycobacterium ulcerans	monoxygenase	0.0082	0.0817	0.2409
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.031	0.3391	1
Plasmodium vivax	ferrodoxin reductase, putative	0.0082	0.0817	0.0817
Trypanosoma brucei	hypothetical protein, conserved	0.0082	0.0817	0.0817
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0082	0.0817	0.0817
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0413	0.0413
Mycobacterium tuberculosis	Probable reductase	0.0082	0.0817	0.0743
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.031	0.3391	0.3391
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.031	0.3391	1
Mycobacterium tuberculosis	Possible dehydrogenase/reductase	0.0082	0.0817	0.0743
Onchocerca volvulus		0.0024	0.016	0.1953
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0082	0.0817	0.0743
Echinococcus multilocularis	pyridine nucleotide disulfide oxidoreductase	0.0082	0.0817	0.0817
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.016	0.047
Trypanosoma brucei	trypanothione reductase	0.0893	1	1
Schistosoma mansoni	glutamate synthase	0.0082	0.0817	0.0817
Echinococcus granulosus	apoptosis inducing factor 1 mitochondrial	0.0082	0.0817	0.0817
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0082	0.0817	0.2409
Trypanosoma cruzi	2,4-dienoyl-coa reductase-like protein, putative	0.0082	0.0817	0.0817
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.031	0.3391	0.3391
Mycobacterium ulcerans	ferredoxin reductase	0.0082	0.0817	0.2409
Brugia malayi	NADPH:adrenodoxin oxidoreductase, mitochondrial precursor	0.0082	0.0817	0.0817
Trypanosoma cruzi	NADH dehydrogenase, putative	0.0082	0.0817	0.0817
Entamoeba histolytica	disulphide oxidoreductase, putative	0.0082	0.0817	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0091
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0082	0.0817	0.2409
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0091
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0082	0.0817	0.0817
Mycobacterium tuberculosis	Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate	0.0082	0.0817	0.0743
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0082	0.0817	0.2409
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0091	0.0091
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0082	0.0817	0.2409
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0893	1	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.016	0.1953
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0082	0.0817	0.0817
Schistosoma mansoni	sulfide quinone reductase	0.0082	0.0817	0.0817
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.031	0.3391	0.3391
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.031	0.3391	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.031	0.3391	0.3391
Mycobacterium ulcerans	NADH dehydrogenase	0.0082	0.0817	0.2409
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.031	0.3391	0.3391
Schistosoma mansoni	glutamate synthase	0.0082	0.0817	0.0817
Schistosoma mansoni	glutamate synthase	0.0082	0.0817	0.0817
Plasmodium falciparum	glutathione reductase	0.031	0.3391	0.3391
Echinococcus granulosus	microtubule associated protein 2	0.0701	0.7828	0.7828
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.031	0.3391	1
Trypanosoma cruzi	pyridine nucleotide-disulphide oxidoreductase, putative	0.0082	0.0817	0.0817
Echinococcus granulosus	pyridine nucleotide disulfide oxidoreductase	0.0082	0.0817	0.0817
Leishmania major	2,4-dienoyl-coa reductase fadh1, putative	0.0082	0.0817	0.0668
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.031	0.3391	0.3391
Plasmodium vivax	glutathione reductase, putative	0.0893	1	1
Trichomonas vaginalis	dihydrolipoamide dehydrogenase, putative	0.0082	0.0817	0.2409
Trichomonas vaginalis	glutamate synthase, putative	0.0082	0.0817	0.2409
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0082	0.0817	0.2409
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.031	0.3391	0.3391
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.031	0.3391	0.3391
Loa Loa (eye worm)	glutathione reductase	0.0893	1	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.031	0.3391	0.3391
Trypanosoma cruzi	trypanothione reductase, putative	0.0893	1	1
Wolbachia endosymbiont of Brugia malayi	thioredoxin reductase	0.0082	0.0817	0.2409
Trypanosoma cruzi	2,4-dienoyl-coa reductase fadh1, putative	0.0082	0.0817	0.0817
Schistosoma mansoni	microtubule-associated protein tau	0.0701	0.7828	0.7828
Echinococcus multilocularis	microtubule associated protein 2	0.0701	0.7828	0.7828
Mycobacterium tuberculosis	Probable oxidoreductase	0.031	0.3391	0.3338
Mycobacterium ulcerans	glutamate synthase subunit beta	0.0082	0.0817	0.2409
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0082	0.0817	0.0743
Giardia lamblia	Thioredoxin reductase	0.0082	0.0817	0.2409
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0082	0.0817	0.2409
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0082	0.0817	0.2409

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 15.96 uM	Antileishmanial activity against Leishmania chagasi MCAN/BR/97/P142 proamastigotes	ChEMBL.	17367894
ED50 (functional)	= 28.12 uM	Antileishmanial activity against Leishmania braziliensis MCAN/BR/98/R619 proamastigotes	ChEMBL.	17367894
ED50 (functional)	= 28.12 uM	Antileishmanial activity against Leishmania braziliensis MCAN/BR/98/R619 proamastigotes	ChEMBL.	17367894
TD50 (ADMET)	= 441.26 uM	Cytotoxicity against BALB/c mouse peritoneal macrophages assessed as cell viability after 24 hrs by MTT assay	ChEMBL.	17367894

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: CHEMBL242376

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 435021