TDR Targets

Basic information

Technical information

TDR Targets ID: 835775
Name: N-[4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene amino]-3-nitrobenzamide
MW: 353.329 | Formula: C18H15N3O5
H donors: 1 H acceptors: 3 LogP: 3.12 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])/C=C/c1ccc2c(c1)OCO2
InChi: 1S/C18H15N3O5/c1-12(5-6-13-7-8-16-17(9-13)26-11-25-16)19-20-18(22)14-3-2-4-15(10-14)21(23)24/h2-10H,11H2,1H3,(H,20,22)/b6-5+,19-12+
InChiKey: JJETYWYLPDDYKQ-AIPJJBHZSA-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

N-[[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-3-nitrobenzamide
N-[[3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]-3-nitro-benzamide
N-[[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]-3-nitro-benzamide
N-[[3-(1,3-benzodioxol-5-yl)-1-methylprop-2-enylidene]amino]-3-nitrobenzamide
N-[[(E)-3-(1,3-benzodioxol-5-yl)-1-methylprop-2-enylidene]amino]-3-nitrobenzamide
N-[[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-3-nitro-benzamide
N-[4-(1,3-benzodioxol-5-yl)but-3-en-2-ylideneamino]-3-nitro-benzamide
MLS000532992
N'-[3-(1,3-benzodioxol-5-yl)-1-methyl-2-propen-1-ylidene]-3-nitrobenzohydrazide
SMR000140430
CBMicro_021304
ZINC01189731
BIM-0021382.P001

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0083	0.0087
Schistosoma mansoni	aldo-keto reductase	0.0033	0.0083	0.0087
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0033	0.0083	0.5671
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0069	0.03	0.0314
Mycobacterium tuberculosis	Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl)	0.0574	0.3393	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0018	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Loa Loa (eye worm)	oxidoreductase	0.0033	0.0083	0.0107
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0038	0.0114	1
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0044	0.0146	1
Onchocerca volvulus		0.0038	0.0114	0.0128
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0038	0.0114	1
Schistosoma mansoni	alpha-glucosidase	0.0169	0.0915	0.0957
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0134	0.0696	0.8997
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0033	0.0083	0.0136
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Loa Loa (eye worm)	ctsf protein	0.0038	0.0114	0.0158
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0114	0.7792
Schistosoma mansoni	alpha glucosidase	0.0044	0.0146	0.0153
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0038	0.0114	1
Leishmania major	cathepsin L-like protease	0.0038	0.0114	0.1269
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.0072	0.0089
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Trichomonas vaginalis	aldo/keto reductase, putative	0.0033	0.0083	0.5671
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0038	0.0114	0.0119
Schistosoma mansoni	cathepsin F (C01 family)	0.0038	0.0114	0.0119
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0018	0.0232
Onchocerca volvulus		0.0033	0.0083	0.0077
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0033	0.0083	0.0136
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0113	0.0185
Loa Loa (eye worm)	oxidoreductase	0.0033	0.0083	0.0107
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0221	0.0334
Onchocerca volvulus		0.0033	0.0083	0.0077
Leishmania major	cathepsin L-like protease	0.0038	0.0114	0.1269
Onchocerca volvulus		0.1015	0.6093	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0069	0.03	0.0314
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0083	0.0087
Brugia malayi	cathepsin L-like precursor	0.0026	0.0036	0.0059
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0026	0.0036	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0069	0.0084
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Trichomonas vaginalis	aldo/keto reductase, putative	0.0033	0.0083	0.5671
Loa Loa (eye worm)	camk/mapkapk/mnk protein kinase	0.0464	0.2719	0.4446
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0114	0.7792
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0146	1
Entamoeba histolytica	aldose reductase, putative	0.0033	0.0083	0.5671
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0146	1
Loa Loa (eye worm)	oxidoreductase	0.0033	0.0083	0.0107
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0069	0.03	0.0314
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Echinococcus granulosus	lamin dm0	0.0032	0.0072	0.0076
Loa Loa (eye worm)	hypothetical protein	0.018	0.0983	0.1588
Echinococcus granulosus	neutral alpha glucosidase AB	0.0044	0.0146	0.0153
Echinococcus granulosus	lamin	0.0032	0.0072	0.0076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Schistosoma mansoni	cathepsin F (C01 family)	0.0038	0.0114	0.0119
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0083	0.0087
Trypanosoma cruzi	cysteine peptidase, putative	0.0146	0.0774	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0033	0.0083	0.0136
Schistosoma mansoni	microtubule-associated protein tau	0.1582	0.956	1
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0114	0.0187
Trypanosoma cruzi	cysteine peptidase, putative	0.0146	0.0774	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0036	0.003
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0083	0.0087
Echinococcus multilocularis	lamin dm0	0.0032	0.0072	0.0076
Echinococcus multilocularis	microtubule associated protein 2	0.1582	0.956	1
Leishmania major	cathepsin L-like protease	0.0038	0.0114	0.1269
Plasmodium vivax	vivapain-2	0.0038	0.0114	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Mycobacterium ulcerans	isocitrate lyase Icl	0.0574	0.3393	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Toxoplasma gondii	cathepsin CPL	0.0038	0.0114	0.7483
Trichomonas vaginalis	aldo/keto reductase, putative	0.0033	0.0083	0.5671
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Echinococcus granulosus	cathepsin l1	0.0038	0.0114	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0113	0.0156
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0146	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0069	0.03	0.0314
Schistosoma mansoni	hypothetical protein	0.0388	0.2256	0.236
Echinococcus multilocularis	muscleblind protein	0.018	0.0983	0.1028
Onchocerca volvulus		0.0033	0.0083	0.0077
Leishmania major	alpha glucosidase II subunit, putative	0.0044	0.0146	0.1696
Trypanosoma brucei	glucosidase, putative	0.0044	0.0146	0.1889
Loa Loa (eye worm)	jmjC domain-containing protein	0.0069	0.03	0.0465
Brugia malayi	Muscleblind-like protein	0.018	0.0983	0.1613
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Echinococcus granulosus	aldo keto reductase	0.0033	0.0083	0.0087
Leishmania major	prostaglandin f synthase, putative	0.0033	0.0083	0.0859
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0114	0.0187
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0018	0.123
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0114	0.0187
Onchocerca volvulus		0.0038	0.0114	0.0128
Schistosoma mansoni	pol-related	0.0033	0.0083	0.0087
Onchocerca volvulus		0.0032	0.0072	0.0059
Echinococcus granulosus	lysine specific demethylase 5A	0.0069	0.03	0.0314
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Onchocerca volvulus		0.0038	0.0114	0.0128
Brugia malayi	Papain family cysteine protease containing protein	0.0038	0.0114	0.0187
Onchocerca volvulus	Cathepsin L homolog	0.0038	0.0114	0.0128
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0033	0.0083	0.5671
Schistosoma mansoni	lamin	0.0032	0.0072	0.0076
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.1083	0.1133
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0146	1
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0114	0.0187
Echinococcus granulosus	aldehyde reductase	0.0024	0.0024	0.0025
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0038	0.0114	0.0158
Trypanosoma cruzi	major cysteine proteinase, putative	0.0115	0.0582	0.7525
Echinococcus granulosus	microtubule associated protein 2	0.1582	0.956	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0018	0.0232
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Brugia malayi	hypothetical protein	0.1015	0.6093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0038	0.0114	0.7792
Leishmania major	cathepsin L-like protease	0.0146	0.0774	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Schistosoma mansoni	lozenge	0.0127	0.0658	0.0689
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Trypanosoma cruzi	cysteine peptidase, putative	0.0146	0.0774	1
Loa Loa (eye worm)	oxidoreductase	0.0033	0.0083	0.0107
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.0072	0.0089
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0114	0.7792
Leishmania major	cathepsin L-like protease	0.0146	0.0774	1
Schistosoma mansoni	aldo-keto reductase	0.0033	0.0083	0.0087
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0146	1
Onchocerca volvulus		0.0032	0.0072	0.0059
Echinococcus multilocularis	Protein lozenge	0.0127	0.0658	0.0689
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0033	0.0083	0.0859
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0072	0.0089
Loa Loa (eye worm)	runx1	0.0127	0.0658	0.1054
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0114	0.7792
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0114	0.7792
Echinococcus multilocularis	cathepsin L cysteine protease	0.0038	0.0114	0.0119
Schistosoma mansoni	intermediate filament proteins	0.0032	0.0072	0.0076
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Onchocerca volvulus	Cathepsin L homolog	0.0038	0.0114	0.0128
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.1083	0.1133
Mycobacterium tuberculosis	Isocitrate lyase Icl (isocitrase) (isocitratase)	0.0574	0.3393	1
Echinococcus multilocularis	musashi	0.0032	0.0072	0.0076
Schistosoma mansoni	alpha-glucosidase	0.0169	0.0915	0.0957
Trypanosoma cruzi	aldo-keto reductase	0.0033	0.0083	0.1071
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0033	0.0083	0.0175
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0036	0.2479
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0018	0.0019
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0038	0.0114	0.1472
Toxoplasma gondii	aldose reductase, putative	0.0033	0.0083	0.5064
Loa Loa (eye worm)	oxidoreductase	0.0033	0.0083	0.0107
Echinococcus multilocularis	aldo keto reductase	0.0033	0.0083	0.0087
Leishmania major	cysteine peptidase A (CPA)	0.0038	0.0114	0.1269
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0146	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0038	0.0114	0.0119
Giardia lamblia	Aldose reductase	0.0033	0.0083	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0036	0.0059
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0018	0.0232
Echinococcus granulosus	intermediate filament protein	0.0032	0.0072	0.0076
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0083	0.0087
Mycobacterium ulcerans	oxidoreductase	0.0033	0.0083	0.0192
Onchocerca volvulus		0.0033	0.0083	0.0077
Echinococcus granulosus	geminin	0.0388	0.2256	0.236
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0114	0.7792
Trypanosoma cruzi	aldo/keto reductase, putative	0.0033	0.0083	0.1071
Brugia malayi	intermediate filament protein	0.0032	0.0072	0.0119
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0018	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0114	0.7792
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0036	0.2479
Echinococcus multilocularis	aldo keto reductase	0.0033	0.0083	0.0087
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0018	0.003
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0146	1
Onchocerca volvulus		0.0033	0.0083	0.0077
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0036	0.2479
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Echinococcus multilocularis	aldehyde reductase	0.0024	0.0024	0.0025
Loa Loa (eye worm)	hypothetical protein	0.1015	0.6093	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0038	0.0114	0.0119
Schistosoma mansoni	ap endonuclease	0.0023	0.0018	0.0019
Schistosoma mansoni	hypothetical protein	0.0388	0.2256	0.236
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0083	0.0087
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0221	0.0363
Echinococcus multilocularis	muscleblind protein 1	0.018	0.0983	0.1028
Mycobacterium tuberculosis	Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl)	0.0574	0.3393	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Echinococcus multilocularis	cysteine protease	0.0038	0.0114	0.0119
Brugia malayi	jmjC domain containing protein	0.0069	0.03	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0036	0.003
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0146	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0146	0.0774	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Echinococcus multilocularis	cathepsin L cysteine protease	0.0038	0.0114	0.0119
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0044	0.0146	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0018	0.123
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0038	0.0114	0.0158
Echinococcus granulosus	aldo keto reductase	0.0033	0.0083	0.0087
Trypanosoma brucei	aldo-keto reductase, putative	0.0033	0.0083	0.1071
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0114	0.7792
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Giardia lamblia	Aldose reductase	0.0033	0.0083	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0033	0.0083	0.0859
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0044	0.0146	1
Echinococcus granulosus	muscleblind protein	0.018	0.0983	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0036	0.003
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0146	0.1889
Loa Loa (eye worm)	hypothetical protein	0.018	0.0983	0.1588
Echinococcus multilocularis	geminin	0.0388	0.2256	0.236
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0033	0.0083	0.0136
Mycobacterium tuberculosis	Probable oxidoreductase	0.0033	0.0083	0.0192
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0114	0.7792
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0114	0.0187
Onchocerca volvulus		0.0038	0.0114	0.0128
Leishmania major	cathepsin L-like protease	0.0146	0.0774	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Onchocerca volvulus		0.0033	0.0083	0.0077
Leishmania major	aldo-keto reductase-like protein	0.0033	0.0083	0.0859
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0083	0.0107
Schistosoma mansoni	ap endonuclease	0.0023	0.0018	0.0019
Schistosoma mansoni	hypothetical protein	0.0038	0.0113	0.0118
Echinococcus granulosus	cathepsin l1	0.0026	0.0036	0.0038
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.0072	0.0119
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0018	0.0019
Echinococcus multilocularis	aldo keto reductase	0.0033	0.0083	0.0087
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0083	0.0087
Echinococcus granulosus	hypothetical protein	0.0033	0.0083	0.0087
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0038	0.0114	0.7792
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0038	0.0114	0.0119
Brugia malayi	jmjC domain containing protein	0.0069	0.03	0.0493
Echinococcus granulosus	aldo keto reductase	0.0033	0.0083	0.0087
Plasmodium vivax	vivapain-2	0.0038	0.0114	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0036	0.0038
Echinococcus multilocularis	lamin	0.0032	0.0072	0.0076
Echinococcus multilocularis	aldo keto reductase	0.0033	0.0083	0.0087
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0114	0.7792
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0018	0.123
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0044	0.0146	0.0153
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Onchocerca volvulus		0.0038	0.0114	0.0128
Loa Loa (eye worm)	hypothetical protein	0.1015	0.6093	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0044	0.0146	0.024
Mycobacterium leprae	Isocitrate lyase	0.0269	0.1526	0.4459
Entamoeba histolytica	aldose reductase, putative	0.0033	0.0083	0.5671
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0044	0.0146	0.0211
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0018	0.1579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0018	0.1579
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.1083	0.1133
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.1083	0.1753
Echinococcus multilocularis	cysteine protease	0.0038	0.0114	0.0119
Brugia malayi	Protein kinase domain containing protein	0.0464	0.2719	0.4462
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0146	1
Trypanosoma brucei	prostaglandin f synthase	0.0033	0.0083	0.1071
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0114	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0114	0.0158
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0083	0.0087
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0083	0.5671
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0069	0.03	0.0314
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Entamoeba histolytica	aldose reductase, putative	0.0033	0.0083	0.5671
Onchocerca volvulus		0.0038	0.0114	0.0128
Leishmania major	cathepsin L-like protease	0.0038	0.0114	0.1269
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.5872	0.6142
Onchocerca volvulus	Cathepsin F homolog	0.0038	0.0114	0.0128
Schistosoma mansoni	jumonji domain containing protein	0.0069	0.03	0.0314
Onchocerca volvulus		0.0114	0.0575	0.089
Mycobacterium ulcerans	isocitrate lyase AceAb	0.0574	0.3393	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0114	0.7792
Leishmania major	cathepsin L-like protease	0.0038	0.0114	0.1269
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0221	0.0334
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0114	0.7792
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0146	0.1889
Loa Loa (eye worm)	fibroinase	0.0038	0.0114	0.0158
Mycobacterium leprae	PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL)	0.0574	0.3393	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0083	0.0087
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0083	0.0087
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0114	0.7792
Loa Loa (eye worm)	cysteine protease	0.0038	0.0114	0.0158
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.1083	0.1778
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0033	0.0083	0.5671
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0221	0.0363
Onchocerca volvulus		0.0038	0.0114	0.0128
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0036	0.0059
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.0774	1
Schistosoma mansoni	lamin	0.0032	0.0072	0.0076

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	= 0.7943 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 1.122 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 1.122 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	2.6169 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	3.1623 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.9953 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL3197919
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 835775