TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.338 | Formula: C15H21N2O4
H donors: 1 H acceptors: 2 LogP: 1.17 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)OC)C1=[N+]([O-])C(C(N1[O])(C)C)(C)C
InChi: 1S/C15H21N2O4/c1-14(2)15(3,4)17(19)13(16(14)18)11-8-7-10(20-5)9-12(11)21-6/h7-9H,1-6H3
InChiKey: NSGFAQJKORCOOK-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0054	0.1041	0.0722
Echinococcus multilocularis	geminin	0.0343	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.6439	1
Echinococcus multilocularis	hexokinase	0.024	0.6816	0.6816
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.0195	0.0108
Schistosoma mansoni	hypothetical protein	0.0343	1	1
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0484	0.0471
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0959	0.1248
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1749	0.5
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.1749	0.1749
Brugia malayi	RNA, U transporter 1	0.0081	0.1896	0.2056
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0077	0.1778	0.2038
Brugia malayi	Bromodomain containing protein	0.0039	0.0594	0.0546
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.0848	0.0848
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0959	0.1248
Trypanosoma brucei	DNA polymerase kappa, putative	0.0077	0.1778	0.2049
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0077	0.1778	0.1778
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0181	0.0168
Trypanosoma brucei	DNA polymerase kappa, putative	0.0077	0.1778	0.2049
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.0892	0.0892
Trypanosoma brucei	DNA polymerase kappa, putative	0.0077	0.1778	0.2049
Trypanosoma brucei	DNA polymerase kappa, putative	0.0077	0.1778	0.2049
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.1389	0.1468
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.8349	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2552	0.2864
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0484	0.0512
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0289	0.8349	1
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.1389	0.1389
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0195	0.0108
Echinococcus granulosus	hexokinase type 2	0.024	0.6816	0.6816
Brugia malayi	Hexokinase family protein	0.024	0.6816	0.7765
Echinococcus granulosus	lamin	0.0054	0.1041	0.1041
Onchocerca volvulus		0.015	0.4045	0.4615
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0959	0.1052
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0087	0.0087
Trypanosoma brucei	hexokinase, putative	0.024	0.6816	0.8288
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.1041	0.1065
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0484	0.0469
Schistosoma mansoni	hypothetical protein	0.0108	0.2738	0.2738
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0108	0.2738	0.2738
Echinococcus granulosus	intermediate filament protein	0.0054	0.1041	0.1041
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.1102	0.1102
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0094	0.0094
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.0892	0.0892
Giardia lamblia	Kinase, PLK	0.0284	0.8199	0.9817
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1749	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0484	0.0418
Schistosoma mansoni	hypothetical protein	0.0047	0.0848	0.0848
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0123	0.0033
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0484	0.0469
Plasmodium vivax	hexokinase, putative	0.024	0.6816	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0959	0.1064
Trichomonas vaginalis	CAMK family protein kinase	0.0284	0.8199	0.9817
Trichomonas vaginalis	CAMK family protein kinase	0.0284	0.8199	0.9817
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0075	0.1694	0.2346
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0049	0.0892	0.053
Loa Loa (eye worm)	glutaminase	0.0271	0.7769	0.8797
Schistosoma mansoni	bromodomain containing protein	0.0065	0.1387	0.1387
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0176	0.4846	0.5479
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.1102	0.1102
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.0848	0.0926
Entamoeba histolytica	hexokinase 2	0.024	0.6816	0.8142
Trypanosoma cruzi	hexokinase, putative	0.024	0.6816	0.8293
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0141	0.3761	0.4758
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0284	0.8199	1
Echinococcus granulosus	hexokinase	0.024	0.6816	0.6816
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.015	0.4021	0.4535
Schistosoma mansoni	hypothetical protein	0.0021	0.0034	0.0034
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.0181	0.0181
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0171	0.4686	0.6817
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1749	0.2127
Echinococcus multilocularis	dna polymerase kappa	0.0077	0.1778	0.1778
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.1041	0.1146
Schistosoma mansoni	intermediate filament proteins	0.0054	0.1041	0.1041
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.0848	0.0848
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1389	0.1389
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.0892	0.0977
Brugia malayi	ImpB/MucB/SamB family protein	0.0128	0.3348	0.3742
Trichomonas vaginalis	CAMK family protein kinase	0.0284	0.8199	0.9817
Schistosoma mansoni	lamin	0.0054	0.1041	0.1041
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.1749	0.2429
Trypanosoma brucei	DNA polymerase kappa, putative	0.0077	0.1778	0.2049
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0108	0.2738	0.2738
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0484	0.0471
Brugia malayi	hexokinase	0.024	0.6816	0.7765
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0301	0.8728	0.9983
Trichomonas vaginalis	CAMK family protein kinase	0.0284	0.8199	0.9817
Trichomonas vaginalis	CAMK family protein kinase	0.0141	0.3745	0.4421
Echinococcus granulosus	hexokinase	0.024	0.6816	0.6816
Loa Loa (eye worm)	hexokinase type II	0.024	0.6816	0.7713
Leishmania major	DNA polymerase kappa, putative	0.0077	0.1778	0.2075
Trypanosoma brucei	DNA polymerase kappa, putative	0.0077	0.1778	0.2049
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1743	0.1944
Schistosoma mansoni	lamin	0.0054	0.1041	0.1041
Echinococcus multilocularis	snurportin 1	0.0305	0.8827	0.8827
Echinococcus multilocularis	musashi	0.0054	0.1041	0.1041
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0484	0.0469
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.3073	0.3457
Plasmodium falciparum	importin beta, putative	0.0029	0.0264	0.021
Trypanosoma brucei	DNA polymerase IV, putative	0.0077	0.1778	0.2049
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.0959	0.1248
Echinococcus granulosus	hexokinase	0.024	0.6816	0.6816
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.8349	1
Brugia malayi	PHD-finger family protein	0.0025	0.0169	0.0053
Trypanosoma brucei	unspecified product	0.0053	0.1033	0.1127
Treponema pallidum	hexokinase (hxk)	0.024	0.6816	0.8119
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1749	0.2429
Brugia malayi	Muscleblind-like protein	0.0302	0.8742	1
Brugia malayi	intermediate filament protein	0.0054	0.1041	0.1065
Leishmania major	DNA polymerase eta, putative	0.0075	0.1694	0.1971
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0264	0.0262
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1749	0.1906
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.0959	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0484	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0302	0.8742	0.9904
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0077	0.1778	0.2075
Brugia malayi	Calcitonin receptor-like protein seb-1	0.015	0.4021	0.4522
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0672	0.0726
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0077	0.1778	0.2038
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0484	0.0809
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0264	0.021
Echinococcus multilocularis	hexokinase	0.024	0.6816	0.6816
Brugia malayi	hypothetical protein	0.0051	0.0959	0.0969
Echinococcus multilocularis	hexokinase	0.024	0.6816	0.6816
Mycobacterium ulcerans	DNA polymerase IV	0.0077	0.1778	0.2164
Trichomonas vaginalis	glutaminase, putative	0.0271	0.7769	0.9297
Trypanosoma brucei	DNA polymerase kappa, putative	0.0053	0.1033	0.1127
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.0892	0.0892
Trypanosoma brucei	DNA polymerase kappa, putative	0.0077	0.1778	0.2049
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0484	0.0512
Toxoplasma gondii	hexokinase	0.024	0.6816	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.8349	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.1273	0.1273
Echinococcus multilocularis	lamin dm0	0.0054	0.1041	0.1041
Brugia malayi	hexokinase type II	0.0076	0.1743	0.188
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0264	0.0174
Leishmania major	hexokinase, putative	0.024	0.6816	0.8293
Brugia malayi	beta-lactamase family protein	0.0036	0.0484	0.0418
Echinococcus granulosus	snurportin 1	0.0305	0.8827	0.8827
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0094	0.0094
Onchocerca volvulus		0.024	0.6816	0.8208
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.3761	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0484	0.0512
Trypanosoma brucei	DNA polymerase kappa, putative	0.0077	0.1778	0.2049
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0284	0.8199	0.8199
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.1102	0.1135
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0264	0.0264
Onchocerca volvulus	Hexokinase homolog	0.015	0.4045	0.4615
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0151	0.0133
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0077	0.1778	0.1778
Echinococcus granulosus	traf and tnf receptor associated protein	0.0176	0.4846	0.4846
Echinococcus multilocularis	muscleblind protein	0.0302	0.8742	0.8742
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.8349	1
Loa Loa (eye worm)	MBCTL1	0.0056	0.1102	0.1215
Plasmodium falciparum	hexokinase	0.024	0.6816	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0519	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1749	0.1951
Loa Loa (eye worm)	glutaminase 2	0.0271	0.7769	0.8797
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.0892	0.0892
Echinococcus granulosus	dna polymerase eta	0.0128	0.3348	0.3348
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0077	0.1778	0.2075
Echinococcus granulosus	GPCR family 2	0.0047	0.0848	0.0848
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.1102	0.1102
Onchocerca volvulus		0.024	0.6816	0.8208
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0484	0.0478
Entamoeba histolytica	hexokinase 1	0.024	0.6816	0.8142
Trypanosoma brucei	DNA polymerase kappa, putative	0.0053	0.1033	0.1127
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.1041	0.1146
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1749	0.2127
Trypanosoma cruzi	DNA polymerase eta, putative	0.0128	0.3348	0.4013
Schistosoma mansoni	importin beta-1	0.0029	0.0264	0.0264
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0484	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1011	0.1111
Schistosoma mansoni	hypothetical protein	0.0299	0.8658	0.8658
Giardia lamblia	DINP protein human, muc B family	0.0077	0.1778	0.2011
Loa Loa (eye worm)	hexokinase	0.024	0.6816	0.7713
Brugia malayi	latrophilin 2 splice variant baaae	0.0102	0.2552	0.2818
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.1102	0.1102
Schistosoma mansoni	DNA polymerase eta	0.0128	0.3348	0.3348
Brugia malayi	beta-lactamase	0.0036	0.0484	0.0418
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0933	0.0754
Trypanosoma brucei	DNA polymerase kappa, putative	0.0077	0.1778	0.2049
Leishmania major	hexokinase, putative	0.024	0.6816	0.8293
Onchocerca volvulus		0.0049	0.0892	0.053
Loa Loa (eye worm)	hypothetical protein	0.0164	0.4451	0.5024
Schistosoma mansoni	hexokinase	0.024	0.6816	0.6816
Trypanosoma brucei	unspecified product	0.0053	0.1033	0.1127
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0151	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1743	0.1944
Schistosoma mansoni	glutaminase	0.0271	0.7769	0.7769
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.1273	0.1273
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0141	0.3761	0.5503
Trichomonas vaginalis	CAMK family protein kinase	0.0284	0.8199	0.9817
Leishmania major	hypothetical protein, conserved	0.0036	0.0484	0.0478
Trichomonas vaginalis	CAMK family protein kinase	0.0284	0.8199	0.9817
Loa Loa (eye worm)	hypothetical protein	0.0302	0.8742	0.9904
Echinococcus multilocularis	GPCR, family 2	0.0047	0.0848	0.0848
Onchocerca volvulus		0.0054	0.1041	0.0722
Trypanosoma brucei	DNA polymerase IV, putative	0.0077	0.1778	0.2049
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0732	0.0794
Loa Loa (eye worm)	hexokinase	0.0074	0.168	0.1872
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.8349	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1389	0.1389
Loa Loa (eye worm)	hypothetical protein	0.0301	0.8728	0.9887
Entamoeba histolytica	hypothetical protein	0.0108	0.2738	0.3201
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0087	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1102	0.1215
Trichomonas vaginalis	CAMK family protein kinase	0.0284	0.8199	0.9817
Trypanosoma brucei	polo-like protein kinase	0.0284	0.8199	1
Loa Loa (eye worm)	hexokinase	0.015	0.4045	0.4562
Schistosoma mansoni	hypothetical protein	0.0047	0.0848	0.0848
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.8349	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0484	0.0478
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.3073	0.3457
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.1749	0.2429
Trichomonas vaginalis	CAMK family protein kinase	0.0141	0.3745	0.4421
Treponema pallidum	fructose-bisphosphate aldolase	0.0289	0.8349	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0484	0.0484
Brugia malayi	mbt repeat family protein	0.0049	0.0892	0.0892
Schistosoma mansoni	hypothetical protein	0.0343	1	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0077	0.1778	0.2173
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0484	0.0471
Schistosoma mansoni	hypothetical protein	0.0305	0.8827	0.8827
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0195	0.5422	0.5422
Trichomonas vaginalis	DNA polymerase eta, putative	0.0077	0.1778	0.2038
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0484	0.0512
Schistosoma mansoni	transcription factor LCR-F1	0.0108	0.2738	0.2738
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0484	0.0512
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.0848	0.084
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0174	0.4764	0.5379
Brugia malayi	Importin beta-1 subunit	0.0029	0.0264	0.0163
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0284	0.8199	0.8199
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.1749	0.1749
Loa Loa (eye worm)	hexokinase	0.024	0.6816	0.7713
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.1749	0.4358
Trypanosoma brucei	DNA polymerase IV, putative	0.0077	0.1778	0.2049
Mycobacterium ulcerans	DNA polymerase IV	0.0077	0.1778	0.2164
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.0848	0.084
Schistosoma mansoni	hypothetical protein	0.0023	0.0087	0.0087
Schistosoma mansoni	serine/threonine protein kinase	0.0284	0.8199	0.8199
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0484	0.0512
Brugia malayi	Bromodomain containing protein	0.0077	0.1759	0.1897
Echinococcus multilocularis	dna polymerase eta	0.0128	0.3348	0.3348
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0484	0.0484
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0199	0.5554	0.5554
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0933	0.0754
Brugia malayi	cytoplasmic intermediate filament protein	0.0029	0.0269	0.0169
Brugia malayi	serine/threonine-protein kinase plk-2	0.0284	0.8199	0.937
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.0959	0.1248
Trypanosoma cruzi	DNA damage repair protein, putative	0.0024	0.0123	0.0033
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0519	0.0519
Trypanosoma brucei	DNA polymerase kappa, putative	0.0053	0.1033	0.1127
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.1389	0.1541
Brugia malayi	beta-lactamase family protein	0.0036	0.0484	0.0418
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.8349	1
Entamoeba histolytica	hypothetical protein	0.0108	0.2738	0.3201
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0484	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0123	0.0102
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.1389	0.1541
Schistosoma mansoni	hypothetical protein	0.0102	0.2552	0.2552
Trypanosoma brucei	unspecified product	0.0077	0.1778	0.2049
Brugia malayi	Hexokinase family protein	0.015	0.4045	0.455
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0959	0.1064
Schistosoma mansoni	DNA polymerase IV / kappa	0.0024	0.0123	0.0123
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0077	0.1778	0.1984
Brugia malayi	Hexokinase family protein	0.0074	0.168	0.1806
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1389	0.1389
Entamoeba histolytica	hypothetical protein	0.0108	0.2738	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0484	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1041	0.1146
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1623	0.1808
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0289	0.8349	1
Mycobacterium ulcerans	glutaminase	0.0271	0.7769	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1749	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0484	0.0469
Echinococcus granulosus	lamin dm0	0.0054	0.1041	0.1041
Trypanosoma brucei	hexokinase	0.024	0.6816	0.8288
Leishmania major	DNA damage repair protein, putative	0.0024	0.0123	0.0033
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0264	0.0174
Echinococcus multilocularis	traf and tnf receptor associated protein	0.0176	0.4846	0.4846
Brugia malayi	mbt repeat family protein	0.0049	0.0892	0.0892
Trypanosoma cruzi	polo-like protein kinase, putative	0.0284	0.8199	1
Trypanosoma cruzi	hexokinase, putative	0.024	0.6816	0.8293
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0484	0.0484
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0933	0.0933
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0284	0.8199	0.9286
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0077	0.1778	0.1778
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.0269	0.0268
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.0181	0.0181
Schistosoma mansoni	kinase	0.0145	0.3861	0.3861
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0305	0.8827	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0123	0.0033
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0264	0.021
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.0933	0.2067
Trypanosoma cruzi	polo-like protein kinase, putative	0.0284	0.8199	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0848	0.0848
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0484	0.0471
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0484	0.0539
Schistosoma mansoni	hypothetical protein	0.0047	0.0848	0.0848
Loa Loa (eye worm)	RNA binding protein	0.0065	0.1389	0.1541
Loa Loa (eye worm)	hypothetical protein	0.0128	0.3348	0.377
Echinococcus multilocularis	hexokinase type 2	0.024	0.6816	0.6816
Brugia malayi	TAR-binding protein	0.0065	0.1389	0.1468
Toxoplasma gondii	ABC1 family protein	0.0036	0.0484	0.0539
Leishmania major	DNA polymerase eta, putative	0.0128	0.3348	0.4013
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0264	0.0264
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0077	0.1778	0.2075
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0284	0.8199	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1389	0.1389
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0933	0.0933
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0892	0.0892
Echinococcus granulosus	tar DNA binding protein	0.0065	0.1389	0.1389
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.0892	0.0892
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0484	0.0446
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.1749	0.2429
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1389	0.1389
Trypanosoma cruzi	DNA polymerase eta, putative	0.0075	0.1694	0.1971
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0892	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0596	0.064
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.1749	0.1749
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0077	0.1778	0.2075
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0484	0.0484
Brugia malayi	ImpB/MucB/SamB family protein	0.0077	0.1778	0.192
Entamoeba histolytica	hypothetical protein	0.0108	0.2738	0.3201
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0077	0.1778	0.1778
Echinococcus granulosus	muscleblind protein	0.0302	0.8742	0.8742
Trypanosoma cruzi	DNA damage repair protein, putative	0.0024	0.0123	0.0033
Onchocerca volvulus		0.024	0.6816	0.8208
Brugia malayi	MH2 domain containing protein	0.0119	0.3073	0.3423
Echinococcus granulosus	dna polymerase kappa	0.0077	0.1778	0.1778
Echinococcus multilocularis	lamin	0.0054	0.1041	0.1041
Brugia malayi	Probable ClpP-like protease	0.0076	0.1749	0.1886
Mycobacterium ulcerans	lipase LipD	0.0036	0.0484	0.0471
Leishmania major	DNA polymerase kappa, putative	0.0024	0.0123	0.0033
Brugia malayi	hypothetical protein	0.0033	0.0399	0.0319
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.8349	1
Trichomonas vaginalis	esterase, putative	0.0036	0.0484	0.0469
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0077	0.1778	0.2075
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0094	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0892	0.0977
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.1102	0.1102
Echinococcus multilocularis	muscleblind protein 1	0.0302	0.8742	0.8742
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0195	0.5422	0.5422
Giardia lamblia	Fructose-bisphosphate aldolase	0.0289	0.8349	1
Leishmania major	hypothetical protein, conserved	0.0051	0.0959	0.1064
Brugia malayi	hypothetical protein	0.0108	0.2738	0.3034
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0848	0.0926
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0284	0.8199	0.9817
Trypanosoma brucei	DNA polymerase eta, putative	0.0128	0.3348	0.3993
Brugia malayi	glutaminase DH11.1	0.0271	0.7769	0.8871
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0199	0.5554	0.5554
Toxoplasma gondii	hypothetical protein	0.0026	0.0195	0.0108
Brugia malayi	RNA binding protein	0.0065	0.1389	0.1468
Trypanosoma brucei	hexokinase	0.024	0.6816	0.8288
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0077	0.1778	0.2173
Trypanosoma brucei	DNA polymerase kappa, putative	0.0077	0.1778	0.2049

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 9.33 uM	Nitric oxide radical scavenging activity in PC12 cells by survival assay	ChEMBL.	17306423
EC50 (functional)	= 25.29 uM	Hydrogen peroxide radical scavenging activity in PC12 cell by survival assay	ChEMBL.	17306423
EC50 (functional)	= 27.73 uM	Hydroxyl radical scavenging activity in PC12 cell by survival assay	ChEMBL.	17306423
Log EC50 (functional)	= 4.56	Hydroxyl radical scavenging activity in PC12 cell by survival assay	ChEMBL.	17306423
Log EC50 (functional)	= 4.6	Hydrogen peroxide radical scavenging activity in PC12 cell by survival assay	ChEMBL.	17306423
Log EC50 (functional)	= 5.03	Nitric oxide radical scavenging activity in PC12 cells by survival assay	ChEMBL.	17306423
log K (ADMET)	= 0.62	Retention time, log K of the compound	ChEMBL.	17306423
LogP	= 0.77	Partition coefficient, log P of the compound	ChEMBL.	17306423

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 436159