TDR Targets

Basic information

Technical information

TDR Targets ID: 333380
Name: 6-N-methyl-4-N-[(E)-(5-nitrofuran-2-yl)methyl ideneamino]-1,3,5-triazine-2,4,6-triamine
MW: 278.228 | Formula: C9H10N8O3
H donors: 3 H acceptors: 5 LogP: 1.45 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CNc1nc(N/N=C/c2ccc(o2)[N+](=O)[O-])nc(n1)N
InChi: 1S/C9H10N8O3/c1-11-8-13-7(10)14-9(15-8)16-12-4-5-2-3-6(20-5)17(18)19/h2-4H,1H3,(H4,10,11,13,14,15,16)/b12-4+
InChiKey: BZCRJHJPWIIZIH-UUILKARUSA-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

N6-methyl-N4-[(E)-(5-nitro-2-furyl)methyleneamino]-1,3,5-triazine-2,4,6-triamine
N6-methyl-N4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
[4-amino-6-(methylamino)-s-triazin-2-yl]-[(E)-(5-nitro-2-furyl)methyleneamino]amine
N6-methyl-N4-[(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
N6-methyl-N4-[(5-nitro-2-furyl)methyleneamino]-1,3,5-triazine-2,4,6-triamine
(4-amino-6-methylamino-s-triazin-2-yl)-[(5-nitro-2-furyl)methyleneamino]amine

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
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Echinococcus multilocularis	sodium channel protein	0.0128	0.8782	1
Onchocerca volvulus		0.0028	0.1237	1
Schistosoma mansoni	nAChR subunit	0.0013	0.0116	0.0025
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0028	0.1237	0.1318
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0607	0.0593
Trypanosoma brucei	hypothetical protein, conserved	0.0017	0.0434	0.6175
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0277	0.0277
Loa Loa (eye worm)	ACC-1 protein	0.0028	0.1237	0.1237
Onchocerca volvulus		0.0015	0.0277	0.1438
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.2009	0.2207
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0607	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0017	0.0434	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0607	0.018
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0028	0.1237	0.1318
Brugia malayi	PHD-finger family protein	0.0016	0.0346	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Brugia malayi	Bromodomain containing protein	0.0048	0.274	0.2655
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0607	1
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0013	0.0116	0.0028
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0029	0.1342	0.1342
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0028	0.1237	0.1156
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0607	1
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0607	0.052
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0434	0.0434
Loa Loa (eye worm)	beta-lactamase	0.0017	0.0434	0.0434
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0607	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0028	0.1237	0.1318
Onchocerca volvulus	Putative nachr subunit	0.0028	0.1237	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0028	0.1237	0.1134
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0028	0.1237	0.1318
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0607	0.0593
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0607	0.0593
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1103	0.1103
Leishmania major	DNA polymerase eta, putative	0.0019	0.0607	0.0206
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0028	0.1237	0.1318
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0607	0.0593
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.1237	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.1237	0.1134
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0028	0.1237	0.1134
Echinococcus granulosus	fetal alzheimer antigen falz	0.0014	0.0233	0.0163
Loa Loa (eye worm)	glutaminase 2	0.0144	1	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0029	0.1342	0.1439
Schistosoma mansoni	nAChR subunit	0.0028	0.1237	0.1156
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0023	0.0873	0.0899
Onchocerca volvulus		0.0015	0.0277	0.1438
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0028	0.1237	0.1156
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0607	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.2536	0.2536
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0277	0.0277
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0013	0.0116	0.0116
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0017	0.0434	0.0346
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0607	1
Echinococcus granulosus	nAChR subunit	0.0028	0.1237	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0607	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0607	0.0607
Mycobacterium ulcerans	glutaminase	0.0144	1	1
Mycobacterium leprae	Probable lipase LipE	0.0017	0.0434	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.1237	0.1134
Echinococcus multilocularis	glycine receptor subunit beta	0.0028	0.1237	0.1318
Loa Loa (eye worm)	LGC-31 protein	0.0028	0.1237	0.1237
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0607	1
Brugia malayi	beta-lactamase family protein	0.0017	0.0434	0.0322
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0029	0.1342	0.1262
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0607	1
Plasmodium vivax	hypothetical protein, conserved	0.0017	0.0434	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0434	0.0434
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0028	0.1237	0.1156
Schistosoma mansoni	nAChR subunit	0.0028	0.1237	0.1156
Brugia malayi	beta-lactamase family protein	0.0017	0.0434	0.0322
Brugia malayi	Cation transporter family protein	0.0028	0.1237	0.1134
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0028	0.1237	0.1134
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0013	0.0116	0.0116
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0017	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0017	0.0434	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0013	0.0116	0.0028
Onchocerca volvulus		0.0028	0.1237	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0277	0.0277
Loa Loa (eye worm)	ACC-1 protein	0.0028	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Schistosoma mansoni	nAChR subunit	0.0028	0.1237	0.1156
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0607	0.0206
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0607	0.025
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0013	0.0116	0.0025
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0607	0.0607
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.0277	0.0163
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0028	0.1237	0.1134
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0017	0.0434	0.0322
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0607	0.0497
Schistosoma mansoni	nAChR subunit	0.0028	0.1237	0.1156
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0013	0.0116	0.0028
Schistosoma mansoni	neurotransmitter gated ion channel	0.0013	0.0116	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0277	0.0277
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0029	0.1342	0.124
Mycobacterium leprae	conserved hypothetical protein	0.0017	0.0434	0.5
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0013	0.0116	0.0028
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.1237	0.1134
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0028	0.1237	0.1156
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0607	0.0593
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0607	0.018
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0028	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0434	0.0434
Loa Loa (eye worm)	acetylcholine receptor protein	0.0013	0.0116	0.0116
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0029	0.1342	0.1439
Schistosoma mansoni	nAChR subunit	0.0028	0.1237	0.1156
Schistosoma mansoni	nAChR subunit	0.0013	0.0116	0.0025
Schistosoma mansoni	hypothetical protein	0.0013	0.0142	0.0051
Trichomonas vaginalis	glutaminase, putative	0.0144	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0989	0.0989
Brugia malayi	Cation transporter family protein	0.0028	0.1237	0.1134
Echinococcus multilocularis	nAChR subunit	0.0015	0.0277	0.0214
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0607	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0028	0.1237	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0028	0.1237	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0607	0.018
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0028	0.1237	0.1134
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0028	0.1237	0.1237
Onchocerca volvulus		0.0028	0.1237	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0015	0.0277	0.0187
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0607	0.0497
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0607	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0028	0.1237	0.1318
Loa Loa (eye worm)	glutaminase	0.0144	1	1
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0015	0.0277	0.0187
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0029	0.1342	0.1262
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0128	0.8782	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Onchocerca volvulus		0.0028	0.1237	1
Brugia malayi	Cation transporter family protein	0.0028	0.1237	0.1134
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0013	0.0116	0.0028
Trypanosoma brucei	unspecified product	0.0019	0.0607	1
Echinococcus granulosus	nAChR subunit	0.0015	0.0277	0.0214
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0029	0.1342	0.1439
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.2009	0.2207
Onchocerca volvulus		0.0017	0.0434	0.2843
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0028	0.1237	0.1318
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0607	1
Echinococcus granulosus	glycine receptor subunit beta	0.0028	0.1237	0.1318
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0028	0.1237	0.1318
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0607	0.0206
Onchocerca volvulus		0.0017	0.0434	0.2843
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Echinococcus granulosus	dna polymerase eta	0.0019	0.0607	0.0593
Loa Loa (eye worm)	GABA receptor subunit	0.0015	0.0277	0.0277
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0028	0.1237	0.1134
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0028	0.1237	0.1318
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0015	0.0277	0.0187
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0607	0.052
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0014	0.0233	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Schistosoma mansoni	nAChR subunit	0.0028	0.1237	0.1156
Schistosoma mansoni	neurotransmitter gated ion channel	0.0013	0.0116	0.0025
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0029	0.1342	0.1439
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0607	0.5
Onchocerca volvulus		0.0017	0.0434	0.2843
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0028	0.1237	0.1318
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0128	0.8782	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0028	0.1237	0.1318
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0028	0.1237	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0277	0.0277
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0015	0.0277	0.0163
Schistosoma mansoni	bromodomain containing protein	0.004	0.218	0.2108
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0607	0.052
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0607	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0029	0.1342	0.1262
Onchocerca volvulus		0.0028	0.1237	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1194	0.1194
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0109	0.7325	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0277	0.0277
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0028	0.1237	0.1237
Schistosoma mansoni	glutaminase	0.0144	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Onchocerca volvulus		0.0028	0.1237	1
Echinococcus multilocularis	nAChR subunit	0.0028	0.1237	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0028	0.1237	0.1318
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0028	0.1237	0.1134
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0028	0.1237	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1237	0.1237
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0028	0.1237	0.1318
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0028	0.1237	0.1156
Loa Loa (eye worm)	PHD-finger family protein	0.0013	0.0142	0.0142
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0607	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0434	0.0434
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0015	0.0277	0.0163
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0028	0.1237	0.1318
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0028	0.1237	0.1318
Echinococcus granulosus	sodium channel protein	0.0128	0.8782	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0607	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0607	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0023	0.0873	0.0899
Schistosoma mansoni	nAChR subunit	0.0028	0.1237	0.1156
Echinococcus granulosus	glycine receptor subunit beta	0.0028	0.1237	0.1318
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0028	0.1237	0.1318
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0017	0.0434	0.0346
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.1237	0.1134
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0607	0.018
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0607	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0607	1
Brugia malayi	excitatory GABA receptor EXP-1A	0.0028	0.1237	0.1134
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0014	0.0233	0.0163
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0028	0.1237	0.1318
Toxoplasma gondii	ABC1 family protein	0.0017	0.0434	0.5
Brugia malayi	Bromodomain containing protein	0.0024	0.0986	0.0881
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0277	0.0277
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0028	0.1237	0.1134
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.0277	0.0163
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0028	0.1237	0.1237
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0028	0.1237	0.1237
Brugia malayi	beta-lactamase	0.0017	0.0434	0.0322
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0607	1
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0028	0.1237	0.1134
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0028	0.1237	0.1134
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0028	0.1237	0.1318
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0028	0.1237	0.1237
Schistosoma mansoni	acetylcholine receptor-related	0.0013	0.0116	0.0025
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0607	0.025
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0028	0.1237	0.1156
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0116	0.0116
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0607	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.1237	0.1134

Activities

Activity type	Activity value	Assay description	Source	Reference
Cured/Infected (functional)	= 2	In vivo antirypanosomal activity of the compound at a dose of 4*20 mg/kg , i.p., in mice infected with trypanosoma brucei rhodesiense STIB 900 strain; 2/4	ChEMBL.	16107157
Cured/Infected (functional)	= 4	In vivo antirypanosomal activity of the compound at a dose of 4*20 mg/kg , i.p., in mice infected with trypanosoma brucei brucei STIB 795 strain; 4/4	ChEMBL.	16107157
IC50 (functional)	= 0.018 uM	Inhibitory concentration of the compound in vitro against blood stream Trypanosoma brucei rhodesiense incubated for 72 h at 37 degree C	ChEMBL.	16107157
IC50 (functional)	= 0.018 uM	Inhibitory concentration of the compound in vitro against blood stream Trypanosoma brucei rhodesiense incubated for 72 h at 37 degree C	ChEMBL.	16107157
IC50 (functional)	= 0.06 uM	In vitro inhibitory concentration of the compound against blood stream trypanosoma brucei brucei AT1 knockout mutant with a non functional P2 transporter incubated for 72 h at 37 degree C	ChEMBL.	16107157
IC50 (functional)	= 0.06 uM	In vitro inhibitory concentration of the compound against blood stream trypanosoma brucei brucei AT1 knockout mutant with a non functional P2 transporter incubated for 72 h at 37 degree C	ChEMBL.	16107157
IC50 (functional)	= 0.07 uM	Inhibitory concentration of the compound against wild-type (427) with NAC trypanosoma brucei	ChEMBL.	16107157
IC50 (functional)	= 0.07 uM	Inhibitory concentration of the compound against wild-type (427) with NAC trypanosoma brucei	ChEMBL.	16107157
IC50 (functional)	= 0.08 uM	Inhibitory concentration of the compound againstwild-type (427) trypanosoma brucei	ChEMBL.	16107157
IC50 (functional)	= 0.08 uM	Inhibitory concentration of the compound againstwild-type (427) trypanosoma brucei	ChEMBL.	16107157
IC50 (functional)	= 0.09 uM	Inhibitory concentration of the compound against wild-type (427) trypanosoma brucei	ChEMBL.	16107157
IC50 (functional)	= 0.09 uM	Inhibitory concentration of the compound against wild-type (427) trypanosoma brucei	ChEMBL.	16107157
IC50 (functional)	= 0.13 uM	In vitro inhibitory concentration of the compound against blood stream trypanosoma brucei brucei AT1 wild type incubated for 72 h at 37 degree C	ChEMBL.	16107157
IC50 (functional)	= 0.13 uM	In vitro inhibitory concentration of the compound against blood stream trypanosoma brucei brucei AT1 wild type incubated for 72 h at 37 degree C	ChEMBL.	16107157
IC50 (functional)	= 0.39 uM	In vitro inhibitory concentration of the compound against intracellular amastigotes of trypanosoma cruzi in rat skeletal myoblasts incubated for 37 degree C for 4 days	ChEMBL.	16107157
IC50 (functional)	= 0.39 uM	In vitro inhibitory concentration of the compound against intracellular amastigotes of trypanosoma cruzi in rat skeletal myoblasts incubated for 37 degree C for 4 days	ChEMBL.	16107157
IC50 (functional)	= 0.75 uM	Inhibitory concentration of the compound in vitro against intracellular amastigotes of Leishmania donovani in rat skeletal myoblasts incubated for 96 h at 27 degree C	ChEMBL.	16107157
IC50 (functional)	= 0.75 uM	Inhibitory concentration of the compound in vitro against intracellular amastigotes of Leishmania donovani in rat skeletal myoblasts incubated for 96 h at 27 degree C	ChEMBL.	16107157
IC50 (functional)	= 48.9 uM	Concentration of the compound causing cytotoxicity to 50% of L-6 rat skeletal myoblasts	ChEMBL.	16107157
Inhibition (functional)	= 27.75 %	In vivo activity of the compound at a dose of 50 mg/kg , i.p., for 5 doses in mice infected with trypanosoma brucei brucei STIB 795 strain, measured as survival days (control 13 days)	ChEMBL.	16107157
P2 uptake (binding)		In vitro inhibitory concentration against P2 aminopurine transporter of trypanosoma brucei brucei 427 adenosine (0.5 uM) uptake in presence of 1 mM inosine; ND=not determined	ChEMBL.	16107157
P2 uptake (binding)	0	In vitro inhibitory concentration against P2 aminopurine transporter of trypanosoma brucei brucei 427 adenosine (0.5 uM) uptake in presence of 1 mM inosine; ND=not determined	ChEMBL.	16107157
Survival (binding)	= 13 day	In vivo activity of the compound at a dose of 50 mg/kg , i.p., for 5 doses in mice infected with trypanosoma brucei brucei STIB 795 strain, measured as survival days (control 13 days)	ChEMBL.	16107157
Survival (functional)	> 38.5 day	In vivo antirypanosomal activity of the compound at a dose of 4*20 mg/kg , i.p., in mice infected with trypanosoma brucei rhodesiense STIB 900 strain, measured as survival days (control 7 days)	ChEMBL.	16107157
Survival (functional)	> 38.5 day	In vivo antirypanosomal activity of the compound at a dose of 4*20 mg/kg , i.p., in mice infected with trypanosoma brucei rhodesiense STIB 900 strain, measured as survival days (control 7 days)	ChEMBL.	16107157
Survival (functional)	> 60 day	In vivo antirypanosomal activity of the compound at a dose of 4*20 mg/kg , i.p., in mice infected with trypanosoma brucei brucei STIB 795 strain, measured as survival days (control 7 days)	ChEMBL.	16107157
Survival (functional)	> 60 day	In vivo antirypanosomal activity of the compound at a dose of 4*20 mg/kg , i.p., in mice infected with trypanosoma brucei brucei STIB 795 strain, measured as survival days (control 7 days)	ChEMBL.	16107157

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference
Trypanosoma brucei	ChEMBL23	16107157
Trypanosoma cruzi	ChEMBL23	16107157
Leishmania donovani	ChEMBL23	16107157
Trypanosoma brucei gambiense		16107157

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: CHEMBL362928
PubChem: 11323405

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 333380