TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 388.423 | Formula: C21H20N6O2
H donors: 4 H acceptors: 5 LogP: 1.66 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCC(c1ccccc1)NC(=O)Nc1ncc2c(c1)[nH]nc2c1ccnc(c1)C
InChi: 1S/C21H20N6O2/c1-13-9-15(7-8-22-13)20-16-11-23-19(10-17(16)26-27-20)25-21(29)24-18(12-28)14-5-3-2-4-6-14/h2-11,18,28H,12H2,1H3,(H,26,27)(H2,23,24,25,29)
InChiKey: VZNCWYDRVUCASS-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

Species	Target name	Source	Bibliographic reference
Mus musculus	mitogen-activated protein kinase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium parvum	MAPK, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania donovani	mitogen-activated protein kinase 4	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium hominis	MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania mexicana	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase implicated in PKC1-controlled signalling pathway	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania braziliensis	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Giardia lamblia	Kinase, CMGC MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania donovani	mitogen activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania mexicana	mitogen-activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	protein kinase, putative,tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma congolense	tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Brugia malayi	MAP kinase sur-1	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	ko:K04371 extracellular signal-regulated kinase 1/2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	mitogen-activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	Get druggable targets OG5_126781	All targets in OG5_126781

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 1	358 aa	361 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0018	0.0245	0.087
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.0793	0.2923
Echinococcus multilocularis	cation transporting atpase worm	0.0009	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0009	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.3995
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Brugia malayi	hypothetical protein	0.0009	0.0033	0.0059
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0018	0.0245	0.0245
Echinococcus granulosus	inositol monophosphatase 1	0.0042	0.0793	0.0793
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0215	0.0215
Loa Loa (eye worm)	calcium ATPase	0.0009	0.0033	0.0059
Onchocerca volvulus		0.001	0.005	0.063
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0018	0.0245	0.0245
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0009	0.0017	0.0017
Entamoeba histolytica	hypothetical protein	0.001	0.005	0.0228
Echinococcus granulosus	cpg binding protein	0.0033	0.0578	0.0578
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0245	0.087
Treponema pallidum	cation-transporting ATPase, P-type	0.0009	0.0033	0.5
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0018	0.0245	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Onchocerca volvulus		0.0009	0.0033	0.0296
Brugia malayi	hypothetical protein	0.0027	0.045	0.1652
Onchocerca volvulus		0.0018	0.0245	0.4381
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0033	0.0059
Schistosoma mansoni	serine/threonine protein kinase	0.0123	0.2635	0.2635
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0245	0.087
Echinococcus multilocularis	cation transporting ATPase 13A1	0.0009	0.0033	0.0033
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0042	0.0793	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0018	0.0245	0.087
Treponema pallidum	hypothetical protein	0.0009	0.0033	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.045	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0038	0.0691	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0125
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0123	0.2635	1
Schistosoma mansoni	hypothetical protein	0.0185	0.4039	0.4039
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0125
Trichomonas vaginalis	CMGC family protein kinase	0.0123	0.2635	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.0793	0.2923
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0245	0.087
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0041	0.0089
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0018	0.0245	0.0245
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0018	0.0245	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0033	0.0059
Schistosoma mansoni	hypothetical protein	0.0037	0.067	0.067
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0018	0.0245	0.0245
Schistosoma mansoni	cation-transporting atpase 13a1 (G-box binding protein)	0.0009	0.0033	0.0033
Schistosoma mansoni	ATPase	0.0009	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0033	0.0059
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.1338	0.1338
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0125
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Echinococcus granulosus	phospholipid transporting ATPase VA	0.0009	0.0033	0.0033
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.001	0.005	0.0125
Echinococcus multilocularis	mitogen activated protein kinase	0.0123	0.2635	0.2635
Brugia malayi	E1-E2 ATPase family protein	0.0009	0.0033	0.0059
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0018	0.0245	0.0245
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0125
Trichomonas vaginalis	inositol monophosphatase, putative	0.0042	0.0793	0.2923
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0018	0.0245	0.0245
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0018	0.0245	0.087
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0042	0.0793	0.2923
Loa Loa (eye worm)	hypothetical protein	0.0037	0.067	0.2495
Brugia malayi	hypothetical protein	0.0018	0.0227	0.0802
Schistosoma mansoni	nAChR subunit	0.0018	0.0245	0.0245
Echinococcus multilocularis	nAChR subunit	0.0018	0.0245	0.0245
Schistosoma mansoni	phosphoserine phosphatase	0.0009	0.0033	0.0033
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0018	0.0245	0.0245
Echinococcus granulosus	nAChR subunit	0.001	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Echinococcus multilocularis	cation transporting ATPase 13A3	0.0009	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Loa Loa (eye worm)	E1-E2 ATPase	0.0009	0.0033	0.0059
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0125
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0018	0.0245	0.0245
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0123	0.2635	1
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0018	0.0245	0.087
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0018	0.0245	0.087
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0018	0.0245	0.0245
Schistosoma mansoni	nAChR subunit	0.0009	0.0017	0.0017
Schistosoma mansoni	hypothetical protein	0.0012	0.0104	0.0104
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0215	0.0755
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0009	0.0033	0.0033
Chlamydia trachomatis	metal transport ATPase	0.0009	0.0033	0.5
Onchocerca volvulus		0.0018	0.0245	0.4381
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.045	0.1602
Echinococcus multilocularis	copper transporting ATPase 1	0.0009	0.0033	0.0033
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.0793	0.2923
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0537	0.1985
Echinococcus granulosus	mitogen activated protein kinase	0.0123	0.2635	0.2635
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.0793	0.2923
Schistosoma mansoni	cation-transporting atpase worm	0.0009	0.0033	0.0033
Schistosoma mansoni	nAChR subunit	0.0009	0.0017	0.0017
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.001	0.005	0.0125
Trichomonas vaginalis	CMGC family protein kinase	0.0123	0.2635	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0018	0.0245	0.0245
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0123	0.2635	1
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0018	0.0245	0.087
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Loa Loa (eye worm)	inositol-1	0.0042	0.0793	0.2964
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.045	1
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.0009	0.0033	0.0059
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0123	0.2635	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.001	0.005	0.005
Echinococcus multilocularis	phospholipid transporting ATPase IIB	0.0009	0.0033	0.0033
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0009	0.0033	0.0059
Schistosoma mansoni	nAChR subunit	0.0018	0.0245	0.0245
Schistosoma mansoni	neurotransmitter gated ion channel	0.0009	0.0017	0.0017
Brugia malayi	Inositol-1	0.0042	0.0793	0.2964
Schistosoma mansoni	cpg binding protein	0.0031	0.0537	0.0537
Echinococcus granulosus	GPCR family 2	0.0017	0.0215	0.0215
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.001	0.005	0.0125
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0018	0.0245	0.087
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0018	0.0245	0.0245
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0009	0.0033	0.0033
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0123	0.2635	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Echinococcus multilocularis	phosphoserine phosphatase	0.0009	0.0033	0.0033
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.067	0.2495
Echinococcus multilocularis	dnaJ subfamily B	0.0445	1	1
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0018	0.0245	0.087
Schistosoma mansoni	type V p-type atpase isoform	0.0009	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Trypanosoma brucei	protein kinase, putative	0.0123	0.2635	1
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0009	0.0017	0.0017
Echinococcus granulosus	cation transporting ATPase 13A1	0.0009	0.0033	0.0033
Brugia malayi	Probable cation-transporting ATPase C10C6.6 in chromosome IV	0.0009	0.0033	0.0059
Schistosoma mansoni	hypothetical protein	0.0445	1	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0018	0.0245	0.0245
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.001	0.005	0.0125
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0044	0.0044
Trichomonas vaginalis	CMGC family protein kinase	0.0123	0.2635	1
Loa Loa (eye worm)	ACC-1 protein	0.0018	0.0245	0.087
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0018	0.0245	0.087
Loa Loa (eye worm)	hypothetical protein	0.0096	0.2015	0.7633
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0018	0.0245	0.0245
Echinococcus multilocularis	phosphoserine phosphatase	0.0009	0.0033	0.0033
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0009	0.0033	0.0033
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.001	0.005	0.005
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0018	0.0245	0.087
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0018	0.0245	0.0245
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0009	0.0017	0.0017
Onchocerca volvulus		0.0031	0.0537	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.045	0.1602
Schistosoma mansoni	nAChR subunit	0.0018	0.0245	0.0245
Schistosoma mansoni	hypothetical protein	0.0017	0.0215	0.0215
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0009	0.0033	0.0033
Schistosoma mansoni	hypothetical protein	0.0017	0.0215	0.0215
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0123	0.2635	0.2635
Echinococcus multilocularis	phosphoserine phosphatase	0.0009	0.0033	0.0033
Schistosoma mansoni	cation-transporting atpase worm	0.0009	0.0033	0.0033
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.1063	0.3995
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0215	0.0755
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0018	0.0245	0.087
Schistosoma mansoni	hypothetical protein	0.0017	0.0215	0.0215
Schistosoma mansoni	hypothetical protein	0.0017	0.0215	0.0215
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0215	0.0215
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.045	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0018	0.0245	0.0245
Echinococcus granulosus	geminin	0.0185	0.4039	0.4039
Loa Loa (eye worm)	ACC-1 protein	0.0018	0.0245	0.087
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0018	0.0245	0.087
Onchocerca volvulus		0.0018	0.0245	0.4381
Echinococcus granulosus	nAChR subunit	0.0018	0.0245	0.0245
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0009	0.0033	0.0033
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.1063	0.3995
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.1176	0.4395
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0018	0.0245	0.0245
Echinococcus multilocularis	phosphoserine phosphatase	0.0009	0.0033	0.0033
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0018	0.0245	0.0245
Echinococcus granulosus	cation transporting atpase worm	0.0009	0.0033	0.0033
Schistosoma mansoni	eyes absent homolog	0.0096	0.2015	0.2015
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0018	0.0245	0.0245
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0009	0.0017	0.0017
Schistosoma mansoni	cpg binding protein	0.0033	0.0578	0.0578
Brugia malayi	E1-E2 ATPase family protein	0.0009	0.0033	0.0059
Onchocerca volvulus	Putative nachr subunit	0.0018	0.0245	0.4381
Loa Loa (eye worm)	LGC-31 protein	0.0018	0.0245	0.087
Schistosoma mansoni	copper ABC transporter ATPase	0.0009	0.0033	0.0033
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0018	0.0245	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0018	0.0245	0.0245
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0245	0.087
Echinococcus granulosus	glycine receptor subunit beta	0.0018	0.0245	0.0245
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0009	0.0033	0.0059
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0245	0.087
Loa Loa (eye worm)	hypothetical protein	0.0027	0.045	0.1652
Onchocerca volvulus		0.001	0.005	0.063
Brugia malayi	hypothetical protein	0.0096	0.2015	0.7633
Giardia lamblia	Kinase, CMGC MAPK	0.0123	0.2635	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0018	0.0245	0.087
Echinococcus granulosus	mitogen activated protein kinase 3	0.0123	0.2635	0.2635
Schistosoma mansoni	acetylcholine receptor-related	0.0009	0.0017	0.0017
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0009	0.0033	0.0033
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.045	0.1602
Schistosoma mansoni	hypothetical protein	0.0185	0.4039	0.4039
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0125
Schistosoma mansoni	nAChR subunit	0.0018	0.0245	0.0245
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0042	0.0793	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0044	0.0044
Trichomonas vaginalis	CMGC family protein kinase	0.0123	0.2635	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0104	0.0104
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0018	0.0245	0.0245
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.1063	0.3995
Echinococcus multilocularis	phospholipid transporting ATPase VA	0.0009	0.0033	0.0033
Echinococcus multilocularis	inositol monophosphatase 1	0.0042	0.0793	0.0793
Brugia malayi	Cation transporter family protein	0.0018	0.0245	0.087
Schistosoma mansoni	ATPase	0.0009	0.0033	0.0033
Echinococcus multilocularis	nAChR subunit	0.001	0.005	0.005
Schistosoma mansoni	atpase class VI type 11c	0.0009	0.0033	0.0033
Schistosoma mansoni	nAChR subunit	0.0018	0.0245	0.0245
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0018	0.0245	0.087
Echinococcus multilocularis	glycine receptor subunit beta	0.0018	0.0245	0.0245
Brugia malayi	Cation transporter family protein	0.0018	0.0245	0.087
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.045	0.1602
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0215	0.0755
Echinococcus multilocularis	cpg binding protein	0.0033	0.0578	0.0578
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0018	0.0245	0.087
Echinococcus multilocularis	phosphoserine phosphatase	0.0009	0.0033	0.0033
Brugia malayi	excitatory GABA receptor EXP-1A	0.0018	0.0245	0.087
Schistosoma mansoni	cation-transporting ATPase	0.0009	0.0033	0.0033
Schistosoma mansoni	neurotransmitter gated ion channel	0.0009	0.0017	0.0017
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0042	0.0793	0.5
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0018	0.0245	0.087
Loa Loa (eye worm)	hypothetical protein	0.0096	0.2015	0.7633
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.0009	0.0033	0.0059
Onchocerca volvulus		0.0018	0.0245	0.4381
Brugia malayi	Na,K-ATPase alpha subunit	0.0009	0.0033	0.0059
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0042	0.0793	0.2923
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0537	0.1985
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0033	0.0059
Onchocerca volvulus		0.0018	0.0245	0.4381
Schistosoma mansoni	neurotransmitter gated ion channel	0.001	0.005	0.005
Echinococcus multilocularis	geminin	0.0185	0.4039	0.4039
Echinococcus granulosus	copper transporting ATPase 1	0.0009	0.0033	0.0033
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0018	0.0245	0.0245
Schistosoma mansoni	nAChR subunit	0.0018	0.0245	0.0245
Echinococcus multilocularis	glycine receptor subunit beta	0.0018	0.0245	0.0245
Echinococcus multilocularis	phosphoserine phosphatase	0.0009	0.0033	0.0033
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0215	0.0755
Leishmania major	hypothetical protein, conserved	0.0027	0.045	0.1602
Brugia malayi	MAP kinase sur-1	0.0123	0.2635	1
Schistosoma mansoni	cpg binding protein	0.0033	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0125
Brugia malayi	potential phospholipid-transporting ATPase IIB, putative	0.0009	0.0033	0.0059
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0123	0.2635	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0018	0.0245	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0033	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0245	0.087
Schistosoma mansoni	inositol monophosphatase	0.0042	0.0793	0.0793
Loa Loa (eye worm)	GABA receptor subunit	0.001	0.005	0.0125
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0042	0.0793	0.2923
Echinococcus granulosus	cation transporting ATPase 13A3	0.0009	0.0033	0.0033
Onchocerca volvulus		0.0018	0.0245	0.4381
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0123	0.2635	1
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0215	0.0215
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0018	0.0245	0.087
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0018	0.0245	0.0245
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0009	0.0017	0.0017
Echinococcus granulosus	glycine receptor subunit beta	0.0018	0.0245	0.0245
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0009	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0125
Brugia malayi	Cation transporter family protein	0.0018	0.0245	0.087
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0123	0.2635	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0123	0.2635	1
Echinococcus granulosus	phospholipid transporting ATPase IIB	0.0009	0.0033	0.0033
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0038	0.0691	1
Schistosoma mansoni	inositol monophosphatase	0.0042	0.0793	0.0793
Schistosoma mansoni	nAChR subunit	0.0018	0.0245	0.0245
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0018	0.0245	0.0245
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0044	0.01

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.2153 nM	BindingDB_Patents: IMAP-FP Assay. Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 uM starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 mL of compound (3333 fold dilution in final assay volume of 25 uL) was dispensed, followed by the addition of 15 uL of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0133 ng/mL (0.316 nM) of phosphorylated active mERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 uL kinase buffer containing 2.45 uM ERK2 IMAP substrate peptides (2.25 uM-unlabeled IPTTPITTTYFFFK-COOH and 200 nM-labeled IPTTPITTTYFFFK-5FAM (5-carboxyfluorescein)-COOH), and 75 uM ATP.	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.

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External resources for this compound

ChEMBL: CHEMBL3703710

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1989547