TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 726.988 | Formula: C30H31BrClN10O5-
H donors: 5 H acceptors: 6 LogP: 1.16 Rotable bonds: 16
Rule of 5 violations (Lipinski): 2
SMILES: N#CCCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)C(=C)Br.[Cl-]
InChi: 1S/C30H31BrN10O5.ClH/c1-17(31)26(42)34-18-10-23(39(3)13-18)28(44)36-20-12-25(41(5)15-20)30(46)37-21-11-24(40(4)16-21)29(45)35-19-9-22(38(2)14-19)27(43)33-8-6-7-32;/h9-16H,1,6,8H2,2-5H3,(H,33,43)(H,34,42)(H,35,45)(H,36,44)(H,37,46);1H/p-1
InChiKey: FUMPUCHCYVBGBB-UHFFFAOYSA-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
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0007	0.0033	0.0044
Trypanosoma cruzi	trypanothione reductase, putative	0.0032	0.0908	0.2803
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0032	0.0908	0.2803
Loa Loa (eye worm)	beta-lactamase	0.0021	0.0521	0.0687
Onchocerca volvulus		0.0012	0.0232	0.0268
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0232	0.0305
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0006	0.0006	0.001
Echinococcus granulosus	beta LACTamase domain containing family member	0.0021	0.0521	0.0826
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0012	0.0232	0.0305
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0082	0.2668	0.3514
Plasmodium vivax	thioredoxin reductase, putative	0.0091	0.2993	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0008
Trichomonas vaginalis	glutathione reductase, putative	0.0032	0.0908	0.0948
Brugia malayi	glutamate synthase	0.0008	0.0095	0.0125
Schistosoma mansoni	nAChR subunit	0.0012	0.0232	0.0232
Onchocerca volvulus		0.0021	0.0521	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Mycobacterium tuberculosis	Probable lipase LipE	0.0021	0.0521	0.0546
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0008	0.0095	0.0151
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1517	0.2404
Toxoplasma gondii	ABC1 family protein	0.0021	0.0521	0.147
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0919	0.2842
Brugia malayi	hypothetical protein	0.0021	0.0531	0.0699
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0006	0.0006	0.001
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0012	0.0232	0.0305
Echinococcus granulosus	GPCR family 2	0.0026	0.0708	0.1123
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0006	0.0006	0.0006
Trypanosoma cruzi	trypanothione reductase, putative	0.0091	0.2993	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0007	0.0033	0.0044
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0006	0.0006	0.001
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0008	0.0095	0.1241
Brugia malayi	MH2 domain containing protein	0.0069	0.2222	0.2927
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0012	0.0232	0.0367
Schistosoma mansoni	retinoic acid receptor RXR	0.0006	0.0006	0.0006
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0008
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0032	0.0908	0.2803
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0008	0.0095	0.1241
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0232	0.7895	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0012	0.0232	0.0305
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0032	0.0908	0.2803
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0006	0.0006	0.001
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0082	0.2668	0.3514
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0032	0.0908	0.2803
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0032	0.0908	0.1042
Brugia malayi	Cation transporter family protein	0.0012	0.0232	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1517	0.2404
Loa Loa (eye worm)	steroid hormone receptor	0.0006	0.0006	0.0008
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0032	0.0908	0.1438
Mycobacterium tuberculosis	Probable reductase	0.0209	0.7083	0.8958
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0521	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0033	0.0044
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0012	0.0232	0.0305
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0032	0.0908	0.2803
Trichomonas vaginalis	penicillin-binding protein, putative	0.0021	0.0521	0.0497
Brugia malayi	steroid hormone receptor	0.0006	0.0006	0.0008
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0006	0.0006	0.0008
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0012	0.0232	0.0367
Loa Loa (eye worm)	MH2 domain-containing protein	0.0069	0.2222	0.2927
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0012	0.0232	0.0367
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0012	0.0232	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0033	0.0044
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0878	0.1391
Schistosoma mansoni	thyroid hormone receptor	0.0079	0.2558	0.2558
Trichomonas vaginalis	D-aminoacylase, putative	0.0021	0.0521	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0033	0.0044
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0092	0.3012	0.4774
Schistosoma mansoni	nAChR subunit	0.0012	0.0232	0.0232
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0006	0.0006	0.0008
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0006	0.0006	0.0006
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0521	0.147
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0032	0.0908	0.2803
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0006	0.0006	0.0006
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0012	0.0232	0.0367
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0012	0.0232	0.0232
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0006	0.0006	0.0008
Brugia malayi	beta-lactamase	0.0021	0.0521	0.0687
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0521	0.0687
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0021	0.0521	0.0687
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0032	0.0908	0.2803
Mycobacterium tuberculosis	Probable dehydrogenase	0.0209	0.7083	0.8958
Onchocerca volvulus		0.0012	0.0232	0.0268
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0007	0.0033	0.0033
Trichomonas vaginalis	D-aminoacylase, putative	0.0021	0.0521	0.0497
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0012	0.0232	0.0367
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0073	0.2354	0.373
Mycobacterium tuberculosis	Probable hydrolase	0.0021	0.0521	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1761	0.232
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0012	0.0232	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0008
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0186	0.631	0.8313
Brugia malayi	Pre-SET motif family protein	0.0223	0.7591	1
Echinococcus granulosus	FTZ F1 alpha	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0008
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0012	0.0232	0.0232
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0007	0.0033	0.0044
Echinococcus granulosus	glycine receptor subunit beta	0.0012	0.0232	0.0367
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0032	0.0908	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Onchocerca volvulus		0.0254	0.8667	1
Onchocerca volvulus		0.0008	0.0095	0.011
Schistosoma mansoni	nAChR subunit	0.0012	0.0232	0.0232
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0186	0.631	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0023	0.0614	0.0809
Schistosoma mansoni	sulfide quinone reductase	0.0008	0.0095	0.0095
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0008	0.0095	0.1241
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0919	0.1456
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0021	0.0521	0.0826
Entamoeba histolytica	thioredoxin reductase, putative	0.0008	0.0095	0.1241
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0012	0.0232	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0521	0.0687
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0232	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Brugia malayi	Cation transporter family protein	0.0012	0.0232	0.0305
Loa Loa (eye worm)	GABA receptor subunit	0.0007	0.0033	0.0044
Loa Loa (eye worm)	thioredoxin reductase	0.0091	0.2993	0.3944
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0026	0.0708	0.0933
Schistosoma mansoni	hypothetical protein	0.0026	0.0708	0.0708
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0032	0.0908	1
Onchocerca volvulus		0.0012	0.0232	0.0268
Schistosoma mansoni	serine/threonine protein kinase	0.0186	0.631	0.631
Schistosoma mansoni	RAR-like nuclear receptor	0.0006	0.0006	0.0006
Brugia malayi	Steroid receptor seven-up type 2	0.0006	0.0006	0.0008
Echinococcus granulosus	NADPH:adrenodoxin oxidoreductase	0.0008	0.0095	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0521	0.0687
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0006	0.0006	0.0008
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0919	0.1456
Schistosoma mansoni	glutamate synthase	0.0008	0.0095	0.0095
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1517	0.1517
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0006	0.0006	0.0008
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0012	0.0232	0.0367
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0032	0.0908	1
Mycobacterium tuberculosis	Conserved protein	0.0021	0.0521	0.0546
Echinococcus granulosus	apoptosis inducing factor 1 mitochondrial	0.0008	0.0095	0.0151
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0032	0.0908	0.2803
Trypanosoma brucei	trypanothione reductase	0.0091	0.2993	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0021	0.0521	0.0521
Loa Loa (eye worm)	ACC-1 protein	0.0012	0.0232	0.0305
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0232	0.0305
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0008	0.0095	0.0125
Brugia malayi	Cation transporter family protein	0.0012	0.0232	0.0305
Plasmodium vivax	hypothetical protein, conserved	0.0021	0.0521	0.147
Loa Loa (eye worm)	glutathione reductase	0.0091	0.2993	0.3944
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0008
Schistosoma mansoni	transcription factor LCR-F1	0.0021	0.0531	0.0531
Plasmodium falciparum	thioredoxin reductase	0.0032	0.0908	0.2803
Echinococcus multilocularis	ecdysone induced protein 78C	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0033	0.0044
Mycobacterium tuberculosis	Probable oxidoreductase	0.0232	0.7895	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0021	0.0521	0.5244
Brugia malayi	Latrophilin receptor protein 2	0.0026	0.0708	0.0933
Mycobacterium ulcerans	lipase LipD	0.0021	0.0521	0.5244
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0032	0.0908	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0006	0.0006	0.001
Trypanosoma brucei	hypothetical protein, conserved	0.0021	0.0521	0.147
Mycobacterium leprae	conserved hypothetical protein	0.0021	0.0521	0.0546
Mycobacterium ulcerans	esterase/lipase LipP	0.0021	0.0521	0.5244
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0006	0.0006	0.0008
Schistosoma mansoni	glutamate synthase	0.0008	0.0095	0.0095
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0021	0.0521	0.0521
Trichomonas vaginalis	esterase, putative	0.0021	0.0521	0.0497
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0012	0.0232	0.0232
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1517	0.1517
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0032	0.0908	0.2803
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0032	0.0908	0.2803
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0012	0.0232	0.0367
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0026	0.0708	0.0933
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0026	0.0708	0.1123
Schistosoma mansoni	hypothetical protein	0.0026	0.0708	0.0708
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0033	0.0044
Schistosoma mansoni	sulfide quinone reductase	0.0008	0.0095	0.0095
Brugia malayi	Thioredoxin reductase	0.0091	0.2993	0.3944
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0919	0.121
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Toxoplasma gondii	thioredoxin reductase	0.0091	0.2993	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0091	0.2993	0.3716
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0708	0.0933
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0012	0.0232	0.0367
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0006	0.0006	0.0008
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0919	0.0919
Schistosoma mansoni	neurotransmitter gated ion channel	0.0007	0.0033	0.0033
Mycobacterium tuberculosis	Probable lipase LipD	0.0021	0.0521	0.0546
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0021	0.0521	0.0546
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0012	0.0232	0.0305
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0008	0.0095	0.1241
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0032	0.0908	0.2803
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0032	0.0908	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0032	0.0908	1
Brugia malayi	excitatory GABA receptor EXP-1A	0.0012	0.0232	0.0305
Onchocerca volvulus		0.0021	0.0521	0.0601
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0008	0.0095	0.0151
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0006	0.0006	0.001
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0008	0.0095	0.0125
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0209	0.7083	0.8958
Loa Loa (eye worm)	transcription factor SMAD2	0.0069	0.2222	0.2927
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0012	0.0232	0.0367
Brugia malayi	Pre-SET motif family protein	0.0032	0.0919	0.121
Echinococcus multilocularis	glycine receptor subunit beta	0.0012	0.0232	0.0367
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0232	0.7895	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0521	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0006	0.0006	0.0008
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0012	0.0232	0.0367
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0186	0.631	0.8313
Entamoeba histolytica	hypothetical protein	0.0021	0.0531	1
Brugia malayi	glutathione reductase	0.0091	0.2993	0.3944
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0209	0.7083	0.8958
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0021	0.0521	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0032	0.0908	0.2803
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1517	0.2404
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0021	0.0521	0.0687
Schistosoma mansoni	hypothetical protein	0.0056	0.1761	0.1761
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0032	0.0908	0.1196
Echinococcus granulosus	glycine receptor subunit beta	0.0012	0.0232	0.0367
Echinococcus multilocularis	GPCR, family 2	0.0026	0.0708	0.1123
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0232	0.0305
Onchocerca volvulus		0.0032	0.0919	0.106
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0032	0.0908	0.2803
Echinococcus multilocularis	FTZ F1 alpha	0.0006	0.0006	0.001
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0012	0.0232	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0919	0.1456
Echinococcus granulosus	ecdysone induced protein 78C	0.0006	0.0006	0.001
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0026	0.0708	0.1123
Schistosoma mansoni	disulfide oxidoreductase	0.0008	0.0095	0.0095
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0032	0.0908	0.2803
Echinococcus multilocularis	glycine receptor subunit beta	0.0012	0.0232	0.0367
Onchocerca volvulus		0.0021	0.0521	0.0601
Echinococcus multilocularis	NADPH:adrenodoxin oxidoreductase	0.0008	0.0095	0.0151
Loa Loa (eye worm)	pyridine nucleotide-disufhide oxidoreductase	0.0008	0.0095	0.0125
Mycobacterium ulcerans	beta-lactamase	0.0021	0.0521	0.5244
Leishmania major	hypothetical protein, conserved	0.0021	0.0521	0.147
Brugia malayi	beta-lactamase family protein	0.0021	0.0521	0.0687
Echinococcus granulosus	nAChR subunit	0.0012	0.0232	0.0367
Entamoeba histolytica	hypothetical protein	0.0021	0.0531	1
Entamoeba histolytica	hypothetical protein	0.0021	0.0531	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0033	0.0044
Plasmodium falciparum	glutathione reductase	0.0032	0.0908	0.2803
Echinococcus granulosus	nAChR subunit	0.0007	0.0033	0.0053
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0223	0.7591	1
Entamoeba histolytica	pyridine nucleotide-disulfide oxidoreductase family protein	0.0008	0.0095	0.1241
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0012	0.0232	0.0367
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0012	0.0232	0.0367
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0006	0.0006	0.0008
Schistosoma mansoni	nAChR subunit	0.0012	0.0232	0.0232
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0209	0.7083	0.8958
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0079	0.2558	0.4055
Plasmodium vivax	SET domain protein, putative	0.0032	0.0919	0.2842
Schistosoma mansoni	thyroid hormone receptor	0.0079	0.2558	0.2558
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0012	0.0232	0.0305
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0006	0.0006	0.0008
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0006	0.0006	0.0008
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0032	0.0908	0.2803
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0919	0.0919
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0012	0.0232	0.0367
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0006	0.0006	0.0008
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0012	0.0232	0.0232
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0032	0.0908	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0007	0.0033	0.0044
Plasmodium falciparum	glutathione reductase	0.0091	0.2993	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0095	0.0125
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0006	0.0006	0.0006
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0008	0.0095	0.0151
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0919	0.0919
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0186	0.631	0.8313
Loa Loa (eye worm)	programmed cell death 8	0.0008	0.0095	0.0125
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0026	0.0708	0.1123
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0209	0.7083	0.8958
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0012	0.0232	0.0367
Mycobacterium tuberculosis	Conserved protein	0.0021	0.0521	0.0546
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0006	0.0006
Schistosoma mansoni	nAChR subunit	0.0012	0.0232	0.0232
Trichomonas vaginalis	D-aminoacylase, putative	0.0021	0.0521	0.0497
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0006	0.0006	0.0006
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0232	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0033	0.0044
Entamoeba histolytica	disulphide oxidoreductase, putative	0.0008	0.0095	0.1241
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0033	0.0044
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0006	0.0006	0.0008
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0132	0.4399	0.5518
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0006	0.0006	0.0008
Onchocerca volvulus		0.0006	0.0006	0.0007
Onchocerca volvulus	Putative nachr subunit	0.0012	0.0232	0.0268
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0006	0.0006	0.0008
Brugia malayi	Protein kinase domain containing protein	0.0186	0.631	0.8313
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0012	0.0232	0.0305
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0006	0.0006	0.0008
Toxoplasma gondii	NADPH-glutathione reductase	0.0032	0.0908	0.2803
Echinococcus multilocularis	glutamate synthase	0.0008	0.0095	0.0151
Mycobacterium leprae	Probable lipase LipE	0.0021	0.0521	0.0546
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0021	0.0531	0.0841
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0012	0.0232	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0008
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0073	0.2354	0.373
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0032	0.0908	0.2803
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0006	0.0006	0.001
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.1517	0.1998
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0012	0.0232	0.0367
Trichomonas vaginalis	set domain proteins, putative	0.0254	0.8667	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0012	0.0232	0.0367
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0032	0.0908	0.1438
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0006	0.0006	0.001
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0006	0.0008
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0006	0.0006	0.0008
Echinococcus multilocularis	pyridine nucleotide disulfide oxidoreductase	0.0008	0.0095	0.0151
Schistosoma mansoni	hypothetical protein	0.0026	0.0708	0.0708
Plasmodium falciparum	thioredoxin reductase	0.0091	0.2993	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0012	0.0232	0.0305
Brugia malayi	nuclear receptor NHR-88	0.0006	0.0006	0.0008
Brugia malayi	photoreceptor-specific nuclear receptor	0.0006	0.0006	0.0008
Schistosoma mansoni	hypothetical protein	0.0026	0.0708	0.0708
Schistosoma mansoni	hypothetical protein	0.0073	0.2354	0.2354
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0006	0.0006	0.001
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0032	0.0908	0.2803
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0033	0.0044
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0008	0.0095	0.0151
Schistosoma mansoni	nAChR subunit	0.0012	0.0232	0.0232
Mycobacterium tuberculosis	Conserved protein	0.0021	0.0521	0.0546
Schistosoma mansoni	hypothetical protein	0.0021	0.0531	0.0531
Leishmania major	trypanothione reductase	0.0091	0.2993	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Brugia malayi	NADPH:adrenodoxin oxidoreductase, mitochondrial precursor	0.0008	0.0095	0.0125
Mycobacterium tuberculosis	Probable esterase LipL	0.0021	0.0521	0.0546
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0023	0.0614	0.0809
Schistosoma mansoni	coup transcription factor	0.0006	0.0006	0.0006
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0012	0.0232	0.0232
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1517	0.2404
Loa Loa (eye worm)	ACC-1 protein	0.0012	0.0232	0.0305
Onchocerca volvulus	Bile acid receptor homolog	0.0006	0.0006	0.0007
Onchocerca volvulus		0.0012	0.0232	0.0268
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0006	0.0006	0.0008
Echinococcus multilocularis	sulfide:quinone oxidoreductase	0.0008	0.0095	0.0151
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0032	0.0908	0.2803
Brugia malayi	beta-lactamase family protein	0.0021	0.0521	0.0687
Onchocerca volvulus		0.0012	0.0232	0.0268
Onchocerca volvulus		0.0007	0.0033	0.0038
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0006	0.0006	0.001
Echinococcus granulosus	pyridine nucleotide disulfide oxidoreductase	0.0008	0.0095	0.0151
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0919	0.0919
Echinococcus granulosus	sulfide:quinone oxidoreductase	0.0008	0.0095	0.0151
Trichomonas vaginalis	mercuric reductase, putative	0.0032	0.0908	0.0948
Onchocerca volvulus		0.0007	0.0033	0.0038
Echinococcus granulosus	glutamate synthase	0.0008	0.0095	0.0151
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0032	0.0908	0.2803
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0012	0.0232	0.0305
Treponema pallidum	NADH oxidase	0.0032	0.0908	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.1517	0.1998
Brugia malayi	nuclear hormone receptor	0.0006	0.0006	0.0008
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0032	0.0908	1
Entamoeba histolytica	hypothetical protein	0.0021	0.0531	1
Schistosoma mansoni	nAChR subunit	0.0012	0.0232	0.0232
Schistosoma mansoni	hypothetical protein	0.0008	0.0095	0.0095
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0082	0.2668	0.3514
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0006	0.0006	0.0008
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0186	0.631	0.728
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0521	0.147
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0232	0.0305
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0012	0.0232	0.0367
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1517	0.1517
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0012	0.0232	0.0305
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0026	0.0708	0.1123
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0021	0.0531	0.0841
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0232	0.7895	1
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0186	0.631	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2668	0.3514
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0209	0.7083	0.8958
Onchocerca volvulus		0.0012	0.0232	0.0268
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0021	0.0521	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0008
Echinococcus multilocularis	nAChR subunit	0.0012	0.0232	0.0367
Schistosoma mansoni	glutamate synthase	0.0008	0.0095	0.0095
Onchocerca volvulus	Protein ultraspiracle homolog	0.0006	0.0006	0.0007
Mycobacterium ulcerans	hypothetical protein	0.0021	0.0521	0.5244
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0232	0.0305
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0006	0.0006	0.0008
Plasmodium vivax	glutathione reductase, putative	0.0091	0.2993	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0007	0.0033	0.0033
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0012	0.0232	0.0305
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0012	0.0232	0.0232
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0012	0.0232	0.0305
Trichomonas vaginalis	penicillin-binding protein, putative	0.0021	0.0521	0.0497
Echinococcus multilocularis	apoptosis inducing factor 1 mitochondrial	0.0008	0.0095	0.0151
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0006	0.0006	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0521	0.0687
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0012	0.0232	0.0305
Brugia malayi	latrophilin 2 splice variant baaae	0.0056	0.1761	0.232
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0006	0.0006	0.0006
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0032	0.0908	0.2803
Brugia malayi	ecdysteroid receptor	0.0006	0.0006	0.0008
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0012	0.0232	0.0367
Loa Loa (eye worm)	LGC-31 protein	0.0012	0.0232	0.0305
Echinococcus granulosus	thioredoxin glutathione reductase	0.0092	0.3012	0.4774
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0006	0.0006	0.001
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0032	0.0908	0.0908
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0012	0.0232	0.0305
Echinococcus multilocularis	nAChR subunit	0.0007	0.0033	0.0053

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 18.1	Compound was evaluated in vitro for inhibitory activity against L1210 cell	ChEMBL.	10866398
OD (functional)	= 12.5 mg kg-1	In vivo antileukemic activity was determined on L1210 leukemia cell in mice (O.D.=optimal (non-toxic) dose	ChEMBL.	10866398
T/C (functional)	= 157 %	In vivo antileukemic activity was determined in mice infected with L1210 leukemia cell after intravenous administration (T/C=median survival time of treated versus untreated mice 10)	ChEMBL.	10866398

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: 130334

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 28942