TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 347.406 | Formula: C19H25NO5
H donors: 2 H acceptors: 4 LogP: 3.95 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)O[C@H]1C[C@]2(C)[C@@H](O)CCC2[C@H]2C1c1ccc(cc1C[C@H]2C)O
InChi: 1S/C19H25NO5/c1-10-7-11-8-12(21)3-4-13(11)18-15(25-20(23)24)9-19(2)14(17(10)18)5-6-16(19)22/h3-4,8,10,14-18,21-22H,5-7,9H2,1-2H3/t10-,14?,15+,16+,17+,18?,19+/m1/s1
InChiKey: JHSXXDAPXQEHEW-FNJGMMQZSA-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
Mycobacterium tuberculosis	Probable oxidoreductase	0.0031	0.02	0.0221
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0349	0.0349
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0128	0.1511	0.1511
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0041	0.0336	0.9555
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0349	0.0435
Schistosoma mansoni	acetylcholinesterase	0.0128	0.1511	0.1511
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0041	0.0336	0.0415
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.02	0.02
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0045	0.5
Schistosoma mansoni	pol-related	0.0031	0.02	0.02
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.02	0.02
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.02	0.1058
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0041	0.0336	0.5391
Echinococcus granulosus	aldehyde reductase	0.0022	0.008	0.008
Loa Loa (eye worm)	carboxylesterase	0.0759	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0128	0.1511	0.1511
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0349	0.0349
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0759	1	1
Onchocerca volvulus		0.0058	0.056	0.2748
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Echinococcus multilocularis	muscleblind protein	0.0155	0.1874	0.1874
Leishmania major	prostaglandin f synthase, putative	0.0031	0.02	0.2875
Echinococcus multilocularis	neuropeptide s receptor	0.0526	0.6864	0.6864
Onchocerca volvulus		0.0128	0.1511	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0032	0.0032
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0585	0.0714
Plasmodium falciparum	protoporphyrinogen oxidase	0.0041	0.0336	1
Mycobacterium ulcerans	monoamine oxidase	0.0041	0.0336	0.0385
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0032	0.0032
Echinococcus granulosus	para nitrobenzyl esterase	0.0128	0.1511	0.1511
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.02	0.02
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.02	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1511	0.1511
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0032	0.0032
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.02	0.1058
Loa Loa (eye worm)	oxidoreductase	0.0031	0.02	0.02
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0128	0.1511	0.2092
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0349	0.0435
Echinococcus multilocularis		0.0041	0.0336	0.0336
Echinococcus granulosus	transient receptor potential cation channel	0.0016	0.000000070234	0.000000070234
Echinococcus granulosus	BC026374 protein S09 family	0.0128	0.1511	0.1511
Echinococcus multilocularis	muscleblind protein 1	0.0155	0.1874	0.1874
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0041	0.0336	0.0336
Echinococcus granulosus	ankyrin repeat protein	0.0498	0.6482	0.6482
Brugia malayi	Carboxylesterase family protein	0.0128	0.1511	0.1511
Entamoeba histolytica	aldose reductase, putative	0.0031	0.02	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Echinococcus multilocularis	acetylcholinesterase	0.0759	1	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0041	0.0336	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0585	0.0585
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0581	0.7605	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0045	0.0045
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Trichomonas vaginalis	esterase, putative	0.0042	0.0349	0.2078
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0045	0.0045
Loa Loa (eye worm)	carboxylesterase	0.0128	0.1511	0.1511
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0336	0.0336
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0336	0.9555
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0349	0.0435
Brugia malayi	Carboxylesterase family protein	0.0128	0.1511	0.1511
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0349	0.2078
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0045	0.0045
Entamoeba histolytica	aldose reductase, putative	0.0031	0.02	1
Echinococcus granulosus	GPCR family 2	0.0018	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0058	0.056	0.056
Brugia malayi	Muscleblind-like protein	0.0155	0.1874	0.1874
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0336	0.0336
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0585	0.0714
Schistosoma mansoni	ap endonuclease	0.0019	0.0045	0.0045
Brugia malayi	hypothetical protein	0.0128	0.1511	0.1511
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.02	0.02
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0349	0.0435
Echinococcus multilocularis	transient receptor potential cation channel	0.0514	0.6697	0.6697
Loa Loa (eye worm)	oxidoreductase	0.0031	0.02	0.02
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0336	0.9555
Leishmania major	hypothetical protein, conserved	0.0042	0.0349	0.5642
Echinococcus granulosus	aldo keto reductase	0.0031	0.02	0.02
Echinococcus granulosus	aldo keto reductase	0.0031	0.02	0.02
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0041	0.0336	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0566	0.0566
Echinococcus multilocularis	aldo keto reductase	0.0031	0.02	0.02
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Schistosoma mansoni	hypothetical protein	0.0018	0.0032	0.0032
Schistosoma mansoni	gliotactin	0.0128	0.1511	0.1511
Echinococcus granulosus	neuroligin	0.0128	0.1511	0.1511
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0349	0.0435
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0031	0.02	0.4457
Schistosoma mansoni	hypothetical protein	0.0018	0.0032	0.0032
Echinococcus multilocularis	acetylcholinesterase	0.0759	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0349	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Loa Loa (eye worm)	oxidoreductase	0.0031	0.02	0.02
Loa Loa (eye worm)	hypothetical protein	0.0031	0.02	0.02
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0041	0.0336	0.0336
Loa Loa (eye worm)	hypothetical protein	0.004	0.0319	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0349	0.0349
Echinococcus granulosus	transient receptor potential cation channel	0.0513	0.6687	0.6687
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0566	0.0566
Schistosoma mansoni	amine oxidase	0.0041	0.0336	0.0336
Schistosoma mansoni	hypothetical protein	0.0018	0.0032	0.0032
Schistosoma mansoni	aldo-keto reductase	0.0031	0.02	0.02
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0128	0.1511	0.1511
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0155	0.1874	0.1874
Trypanosoma cruzi	aldo-keto reductase	0.0031	0.02	0.5095
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0349	0.0349
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0041	0.0336	0.9555
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0128	0.1511	0.1511
Giardia lamblia	Aldose reductase	0.0031	0.02	1
Onchocerca volvulus		0.0128	0.1511	1
Brugia malayi	hypothetical protein	0.0041	0.0336	0.0336
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.02	0.02
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0032	0.0032
Brugia malayi	Carboxylesterase family protein	0.0128	0.1511	0.1511
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1511	0.1511
Echinococcus granulosus	muscleblind protein	0.0155	0.1874	0.1874
Brugia malayi	beta-lactamase	0.0042	0.0349	0.0349
Brugia malayi	Carboxylesterase family protein	0.0128	0.1511	0.1511
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0585	0.077
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0032	0.0032
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0585	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0585	0.0585
Schistosoma mansoni	hypothetical protein	0.004	0.0319	0.0319
Echinococcus granulosus	neuropeptide s receptor	0.0526	0.6864	0.6864
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0349	0.0349
Loa Loa (eye worm)	oxidoreductase	0.0031	0.02	0.02
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0319	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1511	0.1511
Onchocerca volvulus		0.0128	0.1511	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0349	0.0349
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0585	0.0714
Mycobacterium ulcerans	dehydrogenase	0.0041	0.0336	0.0385
Toxoplasma gondii	ABC1 family protein	0.0042	0.0349	0.5642
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0349	0.2078
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0581	0.7605	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0128	0.1511	0.2092
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Echinococcus granulosus	hypothetical protein	0.0031	0.02	0.02
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.02	0.1058
Onchocerca volvulus		0.0042	0.0349	0.114
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Trypanosoma brucei	aldo-keto reductase, putative	0.0031	0.02	0.5095
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0041	0.0336	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1511	0.1511
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0349	0.0435
Mycobacterium ulcerans	lipase LipD	0.0042	0.0349	0.0403
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0349	0.0403
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0566	0.0566
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.02	0.02
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.02	0.1058
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Echinococcus granulosus	tumor protein p63	0.0393	0.5081	0.5081
Echinococcus multilocularis	neuroligin	0.0128	0.1511	0.1511
Mycobacterium ulcerans	carboxylesterase, LipT	0.0128	0.1511	0.1939
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0349	1
Brugia malayi	beta-lactamase family protein	0.0042	0.0349	0.0349
Echinococcus multilocularis	para nitrobenzyl esterase	0.0128	0.1511	0.1511
Brugia malayi	amine oxidase, flavin-containing family protein	0.0041	0.0336	0.0336
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0268	0.339	0.4773
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0349	0.0349
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0041	0.0336	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0336	0.0336
Echinococcus multilocularis	aldehyde reductase	0.0022	0.008	0.008
Trypanosoma brucei	prostaglandin f synthase	0.0031	0.02	0.5095
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0349	0.0435
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0585	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0526	0.6864	0.6864
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0349	0.0403
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.02	0.02
Brugia malayi	SWIRM domain containing protein	0.0041	0.0336	0.0336
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0128	0.1511	0.1511
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1511	0.1511
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0336	0.0336
Trichomonas vaginalis	spcc417.12 protein, putative	0.0128	0.1511	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0349	0.0435
Loa Loa (eye worm)	carboxylesterase	0.0128	0.1511	0.1511
Schistosoma mansoni	amine oxidase	0.0041	0.0336	0.0336
Brugia malayi	Carboxylesterase family protein	0.0759	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0349	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0128	0.1511	0.1511
Echinococcus multilocularis	aldo keto reductase	0.0031	0.02	0.02
Toxoplasma gondii	aldose reductase, putative	0.0031	0.02	0.2875
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0041	0.0336	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.02	0.02
Loa Loa (eye worm)	hypothetical protein	0.0759	1	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0585	0.0585
Leishmania major	UDP-galactopyranose mutase	0.0041	0.0336	0.5391
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0032	0.0032
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.02	0.1058
Schistosoma mansoni	ap endonuclease	0.0019	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0336	0.0336
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0128	0.1511	1
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0498	0.6482	0.6482
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0349	0.0349
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0349	0.0349
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0349	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1511	0.1511
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0585	0.0585
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1511	0.1511
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0349	0.0349
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0128	0.1511	0.2092
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0128	0.1511	0.1511
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0349	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.054	0.7054	1
Echinococcus granulosus	acetylcholinesterase	0.0759	1	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0045	0.0045
Schistosoma mansoni	cellular tumor antigen P53	0.0058	0.056	0.056
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0759	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0349	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0349	0.0349
Toxoplasma gondii	histone lysine-specific demethylase	0.0041	0.0336	0.5391
Onchocerca volvulus		0.0042	0.0349	0.114
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0349	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0336	0.0336
Leishmania major	aldo-keto reductase-like protein	0.0031	0.02	0.2875
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.02	0.02
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.02	0.02
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0349	0.0435
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0032	0.0032
Echinococcus multilocularis	ankyrin repeat protein	0.0498	0.6482	0.6482
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0041	0.0336	0.0336
Echinococcus granulosus	acetylcholinesterase	0.0759	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0349	0.2078
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0349	0.0349
Echinococcus multilocularis	tumor protein p63	0.0393	0.5081	0.5081
Echinococcus granulosus	carboxylesterase 5A	0.0759	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0031	0.02	0.5095
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.02	0.02
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0031	0.02	0.2875
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0031	0.02	0.2875
Onchocerca volvulus		0.0041	0.0336	0.1036
Entamoeba histolytica	aldose reductase, putative	0.0031	0.02	1
Onchocerca volvulus		0.0128	0.1511	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.02	0.02
Echinococcus granulosus	neuropeptide receptor A26	0.0526	0.6864	0.6864
Echinococcus multilocularis	carboxylesterase 5A	0.0759	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.02	0.02
Echinococcus multilocularis	aldo keto reductase	0.0031	0.02	0.02
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.02	0.02
Brugia malayi	beta-lactamase family protein	0.0042	0.0349	0.0349
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0041	0.0336	0.9555
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0349	0.0403
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0349	0.2078
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0349	0.0403
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Onchocerca volvulus		0.0128	0.1511	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0041	0.0336	0.9555
Echinococcus multilocularis	transient receptor potential cation channel	0.0016	0.000000070234	0.000000070234
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0041	0.0336	0.0336
Echinococcus multilocularis	aldo keto reductase	0.0031	0.02	0.02
Mycobacterium ulcerans	oxidoreductase	0.0031	0.02	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0155	0.1874	0.1874
Onchocerca volvulus		0.0042	0.0349	0.114
Mycobacterium tuberculosis	Possible oxidoreductase	0.0041	0.0336	0.0415
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.02	0.1058
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0041	0.0336	0.9497
Giardia lamblia	Aldose reductase	0.0031	0.02	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0045	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0128	0.1511	0.1511
Schistosoma mansoni	hypothetical protein	0.0018	0.0032	0.0032
Schistosoma mansoni	aldo-keto reductase	0.0031	0.02	0.02
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0566	0.0566
Loa Loa (eye worm)	oxidoreductase	0.0031	0.02	0.02
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0349	0.2078
Mycobacterium ulcerans	oxidoreductase	0.0041	0.0336	0.0385
Echinococcus granulosus	aldo keto reductase	0.0031	0.02	0.02
Loa Loa (eye worm)	acetylcholinesterase 1	0.0759	1	1
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0041	0.0336	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.708	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.554	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.421	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.307	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.128	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.92	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.883	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.862	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.834	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.832	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2374530

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1761907