TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 456.402 | Formula: C22H20N2O9
H donors: 5 H acceptors: 9 LogP: -0.94 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]([C@H]([C@@H]([C@H](Cn1c2c3ccccc3C(=O)c2c2c(c1=O)cc(cc2)[N+](=O)[O-])O)O)O)O
InChi: 1S/C22H20N2O9/c25-9-16(27)21(30)20(29)15(26)8-23-18-12-3-1-2-4-13(12)19(28)17(18)11-6-5-10(24(32)33)7-14(11)22(23)31/h1-7,15-16,20-21,25-27,29-30H,8-9H2/t15-,16+,20+,21+/m0/s1
InChiKey: DUOLBKBRPQDGMB-OBNJBMLMSA-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
Echinococcus granulosus	jumonji domain containing protein	0.0129	0.0042	0.0042
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	atrial natriuretic peptide receptor 1	0.0264	0.0111	0.0111
Schistosoma mansoni	beta-12-n-acetylglucosaminyltransferase II	1.9697	1	1
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/Met protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	jumonji domain containing protein	0.0241	0.0099	0.0099
Echinococcus multilocularis	epidermal growth factor receptor	0.0264	0.0111	0.0111
Brugia malayi	MH2 domain containing protein	0.0119	0.0037	0.0037
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	c src tyrosine kinase	0.0264	0.0111	0.0111
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0217	0.0087	1
Echinococcus multilocularis	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TKL/MLK/ILK protein kinase	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine-protein kinase fps85d	0.0264	0.0111	0.0111
Echinococcus multilocularis	retinal guanylyl cyclase 2	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Onchocerca volvulus		0.0264	0.0111	0.0351
Schistosoma mansoni	tyrosine protein kinase fes (fps) (ptk group IV)	0.0264	0.0111	0.0111
Brugia malayi	Tyrosine-protein kinase F09A5.2 in chromosome X, putative	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Plasmodium falciparum	protein kinase, putative	0.0264	0.0111	0.7663
Echinococcus granulosus	c src tyrosine kinase	0.0264	0.0111	0.0111
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0331	0.0145	0.5
Plasmodium vivax	protein kinase, putative	0.0264	0.0111	0.7663
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0264	0.0111	0.0111
Echinococcus granulosus	activin receptor type	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0264	0.0111	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Echinococcus multilocularis	transfer RNA-Thr	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase pr2	0.0264	0.0111	0.0111
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0264	0.0111	0.0111
Echinococcus granulosus	integrin linked protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	insulin receptor	0.0264	0.0111	0.0111
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0264	0.0111	0.0111
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0331	0.0145	1
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0264	0.0111	0.0111
Brugia malayi	SRC-1	0.0264	0.0111	0.0111
Entamoeba histolytica	leucine-rich repeat domain-containing protein	0.0295	0.0126	1
Trichomonas vaginalis	glucosylceramidase, putative	0.7591	0.3839	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0264	0.0111	1
Trypanosoma cruzi	protein kinase, putative	0.0264	0.0111	1
Loa Loa (eye worm)	SRC-1	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK protein kinase	0.0264	0.0111	0.0111
Brugia malayi	integrin-linked kinase	0.0264	0.0111	0.0111
Mycobacterium tuberculosis	Probable oxidoreductase	0.012	0.0037	0.4272
Toxoplasma gondii	STE kinase	0.0264	0.0111	0.7663
Echinococcus multilocularis	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	protein kinase domain-containing protein	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0264	0.0111	0.0111
Onchocerca volvulus	Tyrosine kinase receptor Cad96Ca homolog	0.0264	0.0111	0.0351
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase csk	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0264	0.0111	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	PHD-finger family protein	0.0093	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Onchocerca volvulus	Glucosylceramidase homolog	0.498	0.2511	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0304	0.0131	0.0131
Onchocerca volvulus	Tyrosine kinase homolog	0.0264	0.0111	0.0351
Loa Loa (eye worm)	TK/ALK protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	src-type protein tyrosine kinase-related	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase csk	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0264	0.0111	0.0111
Trichomonas vaginalis	glucosylceramidase, putative	0.498	0.2511	0.6437
Trichomonas vaginalis	glucosylceramidase, putative	0.7591	0.3839	1
Echinococcus granulosus	tyrosine protein kinase csk	0.0264	0.0111	0.0111
Schistosoma mansoni	serine/threonine protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	integrin linked protein kinase	0.0264	0.0111	0.0111
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0331	0.0145	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.498	0.2511	0.6437
Loa Loa (eye worm)	TK protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	ephrin receptor	0.0264	0.0111	0.0111
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0114	0.0034	0.2354
Loa Loa (eye worm)	TK protein kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	FL cytokine receptor	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK protein kinase	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Brugia malayi	Guanylyl cyclase protein 23	0.0264	0.0111	0.0111
Echinococcus multilocularis	heat shock protein 70	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0304	0.0131	0.0131
Loa Loa (eye worm)	hypothetical protein	1.9697	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0264	0.0111	0.0111
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0112	0.0033	0.0033
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Leishmania major	protein kinase, putative	0.0264	0.0111	1
Loa Loa (eye worm)	TK protein kinase	0.0264	0.0111	0.0111
Toxoplasma gondii	protein kinase	0.0264	0.0111	0.7663
Brugia malayi	Adenylate and Guanylate cyclase catalytic domain containing protein	0.0264	0.0111	0.0111
Brugia malayi	Tyrosine-protein kinase abl-1	0.0264	0.0111	0.0111
Trichomonas vaginalis	glucosylceramidase, putative	0.5249	0.2647	0.6803
Echinococcus granulosus	tyrosine protein kinase csk	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/EPH protein kinase	0.0264	0.0111	0.0111
Brugia malayi	ephrin receptor 1 precursor	0.0264	0.0111	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0112	0.0033	0.0033
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0114	0.0034	0.0283
Echinococcus granulosus	mitogen-activated protein kinase kinase kinase 9	0.0264	0.0111	0.0111
Brugia malayi	bone morphogenetic protein type 1 receptor	0.0264	0.0111	0.0111
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0114	0.0034	0.2354
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0264	0.0111	0.0111
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.7591	0.3839	0.3839
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0264	0.0111	0.0111
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0264	0.0111	0.7663
Entamoeba histolytica	protein kinase, putative	0.0295	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Echinococcus multilocularis	retinal guanylyl cyclase 2	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Trichomonas vaginalis	glucosylceramidase, putative	0.498	0.2511	0.6437
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0264	0.0111	0.0111
Echinococcus multilocularis	protein tyrosine kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	serine/threonine RGC	0.0264	0.0111	0.0111
Trichomonas vaginalis	glucosylceramidase, putative	0.498	0.2511	0.6437
Loa Loa (eye worm)	TK/FAK protein kinase	0.0264	0.0111	0.0111
Giardia lamblia	Kinase	0.0264	0.0111	1
Schistosoma mansoni	ephrin receptor	0.0264	0.0111	0.0111
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0264	0.0111	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Onchocerca volvulus		0.0264	0.0111	0.0351
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0264	0.0111	0.0111
Echinococcus granulosus	activated cdc42 kinase 1	0.0264	0.0111	0.0111
Brugia malayi	Bromodomain containing protein	0.0093	0.0023	0.0023
Echinococcus multilocularis	tyrosine protein kinase Fes:Fps	0.0264	0.0111	0.0111
Echinococcus multilocularis	protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0264	0.0111	0.0111
Trypanosoma brucei	protein kinase, putative	0.0264	0.0111	1
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.012	0.0037	0.4272
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0264	0.0111	0.0111
Echinococcus multilocularis	macrophage colony stimulating factor 1 receptor	0.0264	0.0111	0.0111
Brugia malayi	Probable tyrosine-protein kinase kin-31	0.0264	0.0111	0.0111
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0264	0.0111	0.0111
Mycobacterium tuberculosis	Probable dehydrogenase	0.0108	0.0031	0.3564
Giardia lamblia	Kinase, NEK	0.0264	0.0111	1
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/INSR protein kinase	0.0264	0.0111	0.0111
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0264	0.0111	1
Plasmodium falciparum	protein kinase, putative	0.0264	0.0111	0.7663
Echinococcus granulosus	alpha 16 mannosyl glycoprotein	1.9697	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0264	0.0111	0.0111
Brugia malayi	Probable ClpP-like protease	0.0331	0.0145	0.0145
Echinococcus granulosus	natriuretic peptide receptor 1	0.0264	0.0111	0.0111
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0264	0.0111	0.0111
Leishmania major	hypothetical protein, conserved	0.0264	0.0111	1
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Brugia malayi	Furin-like cysteine rich region family protein	0.0264	0.0111	0.0111
Plasmodium falciparum	tyrosine kinase-like protein	0.0264	0.0111	0.7663
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0331	0.0145	1
Loa Loa (eye worm)	TK protein kinase	0.0264	0.0111	0.0111
Brugia malayi	hypothetical protein	0.0264	0.0111	0.0111
Entamoeba histolytica	hypothetical protein	0.0295	0.0126	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0108	0.0031	0.3564
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0264	0.0111	0.0111
Trichomonas vaginalis	glucosylceramidase, putative	0.7591	0.3839	1
Brugia malayi	jmjC domain containing protein	0.0112	0.0033	0.0033
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0331	0.0145	0.5
Loa Loa (eye worm)	TKL/MLK/TAK1 protein kinase	0.0264	0.0111	0.0111
Brugia malayi	proto-oncogene tyrosine-protein kinase FER	0.0264	0.0111	0.0111
Echinococcus multilocularis	activin receptor type	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0264	0.0111	0.0111
Echinococcus granulosus	atrial natriuretic peptide receptor 1	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0264	0.0111	0.0111
Onchocerca volvulus		0.0264	0.0111	0.0351
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.012	0.0037	0.4272
Schistosoma mansoni	hypothetical protein	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	retinal guanylyl cyclase 2	0.0264	0.0111	0.0111
Giardia lamblia	Kinase, NEK	0.0264	0.0111	1
Schistosoma mansoni	serine/threonine protein kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine protein kinase fes (fps) (ptk group IV)	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Brugia malayi	C-terminal src kinase protein 1	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.7591	0.3839	0.3839
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0093	0.0023	0.0023
Brugia malayi	SH2 domain containing protein	0.0264	0.0111	0.0111
Echinococcus multilocularis	alpha 1,6 mannosyl glycoprotein	1.9697	1	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.012	0.0037	0.0538
Echinococcus multilocularis	kinase suppressor of Ras 1	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase shark	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase pr2	0.0264	0.0111	0.0111
Trichomonas vaginalis	glucosylceramidase, putative	0.7591	0.3839	1
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0264	0.0111	0.0111
Plasmodium vivax	hypothetical protein, conserved	0.0093	0.0023	0.1605
Echinococcus granulosus	retinal guanylyl cyclase 2	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	activated cdc42 kinase 1	0.0264	0.0111	0.0111
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0108	0.0031	0.3564
Plasmodium falciparum	tyrosine kinase-like protein	0.0264	0.0111	0.7663
Onchocerca volvulus		0.0264	0.0111	0.0351
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0331	0.0145	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0023	0.0023
Echinococcus multilocularis	lysine specific demethylase 5A	0.0112	0.0033	0.0033
Echinococcus multilocularis	tyrosine protein kinase csk	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK protein kinase	0.0264	0.0111	0.0111
Trypanosoma brucei	Pseudokinase, putative	0.0264	0.0111	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0264	0.0111	0.0111
Trichomonas vaginalis	glucosylceramidase, putative	0.498	0.2511	0.6437
Echinococcus granulosus	tyrosine protein kinase Blk	0.0264	0.0111	0.0111
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0331	0.0145	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase HCK	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/ACK protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	serine/threonine protein kinase	0.0264	0.0111	0.0111
Brugia malayi	Tyrosine-protein kinase PR2	0.0264	0.0111	0.0111
Trichomonas vaginalis	glucosylceramidase, putative	0.498	0.2511	0.6437
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Brugia malayi	Raf kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	peregrin	0.0093	0.0023	0.0023
Echinococcus granulosus	epidermal growth factor receptor	0.0264	0.0111	0.0111
Brugia malayi	jmjC domain containing protein	0.0304	0.0131	0.0131
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Echinococcus granulosus	raf serine:threonine protein kinase	0.0264	0.0111	0.0111
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0264	0.0111	0.7663
Echinococcus granulosus	epidermal growth factor receptor	0.0264	0.0111	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0264	0.0111	0.0111
Trichomonas vaginalis	glucosylceramidase, putative	0.498	0.2511	0.6437
Echinococcus multilocularis	protein KINase family member (kin 25)	0.0264	0.0111	0.0111
Echinococcus granulosus	receptor type guanylyl cyclase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0057	0.0057
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0264	0.0111	0.0111
Onchocerca volvulus		0.0264	0.0111	0.0351
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0331	0.0145	1
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0264	0.0111	0.0111
Trypanosoma brucei	Flagellum attachment zone protein 20	0.0264	0.0111	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0331	0.0145	0.0145
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.0264	0.0111	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0217	0.0087	0.0087
Toxoplasma gondii	PHD-finger domain-containing protein	0.0093	0.0023	0.1605
Onchocerca volvulus		0.0264	0.0111	0.0351
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0331	0.0145	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0264	0.0111	0.7663
Echinococcus granulosus	tyrosine protein kinase Srms	0.0264	0.0111	0.0111
Entamoeba histolytica	hypothetical protein	0.0295	0.0126	1
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Onchocerca volvulus		0.0264	0.0111	0.0351
Trypanosoma cruzi	protein kinase, putative	0.0264	0.0111	1
Echinococcus granulosus	3'partial\|retinal guanylyl cyclase 2	0.0264	0.0111	0.0111
Toxoplasma gondii	hypothetical protein	0.0114	0.0034	0.2354
Onchocerca volvulus		0.0264	0.0111	0.0351
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0093	0.0023	0.0023
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Onchocerca volvulus		0.0264	0.0111	0.0351
Echinococcus multilocularis	natriuretic peptide receptor 1	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	activated cdc42 kinase 1	0.0264	0.0111	0.0111
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Onchocerca volvulus		0.0264	0.0111	0.0351
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0331	0.0145	0.5
Echinococcus multilocularis	tyrosine protein kinase csk	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine kinase	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0264	0.0111	0.0111
Brugia malayi	protein-tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TKL/MLK/HH498 protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/CSK protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0331	0.0145	0.0145
Loa Loa (eye worm)	TK protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/RYK protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase csk	0.0264	0.0111	0.0111
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0217	0.0087	1
Echinococcus multilocularis	insulin receptor	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	retinal guanylyl cyclase 2	0.0264	0.0111	0.0111
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0331	0.0145	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.7591	0.3839	1
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	hypothetical protein	0.0093	0.0023	0.0023
Onchocerca volvulus		0.0264	0.0111	0.0351
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine-protein kinase fps85d	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Brugia malayi	Adenylate and Guanylate cyclase catalytic domain containing protein	0.0264	0.0111	0.0111
Echinococcus granulosus	protein tyrosine kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	epidermal growth factor receptor	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	jmjC domain-containing protein	0.0191	0.0074	0.0074
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Brugia malayi	Receptor family ligand binding region containing protein	0.0264	0.0111	0.0111
Brugia malayi	hypothetical protein	0.0264	0.0111	0.0111
Entamoeba histolytica	hypothetical protein	0.0295	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Brugia malayi	hypothetical protein	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0264	0.0111	0.0111
Brugia malayi	Probable tyrosine-protein kinase kin-31	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase shark	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/ROR protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Brugia malayi	PHD-finger family protein	0.0093	0.0023	0.0023
Schistosoma mansoni	protein tyrosine kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0264	0.0111	0.0351
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	peptidase Clp S14 family	0.0217	0.0087	0.0087
Loa Loa (eye worm)	TK protein kinase	0.0264	0.0111	0.0111
Plasmodium falciparum	phd finger protein, putative	0.0093	0.0023	0.1605
Loa Loa (eye worm)	TK protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Brugia malayi	SH2 domain containing protein	0.0264	0.0111	0.0111
Loa Loa (eye worm)	jmjC domain-containing protein	0.0112	0.0033	0.0033
Echinococcus multilocularis	retinal guanylyl cyclase 2	0.0264	0.0111	0.0111
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0264	0.0111	0.7663
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0264	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TKL/RAF/KSR protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase Fes:Fps	0.0264	0.0111	0.0111
Toxoplasma gondii	protein kinase domain-containing protein	0.0264	0.0111	0.7663
Echinococcus multilocularis	jumonji domain containing protein	0.0129	0.0042	0.0042
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0264	0.0111	0.0111
Plasmodium falciparum	protein kinase, putative	0.0264	0.0111	0.7663
Trichomonas vaginalis	glucosylceramidase, putative	0.7591	0.3839	1
Leishmania major	protein kinase, putative	0.0264	0.0111	1
Echinococcus granulosus	peregrin	0.0093	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Mycobacterium tuberculosis	Probable reductase	0.0108	0.0031	0.3564
Toxoplasma gondii	PHD-finger domain-containing protein	0.0093	0.0023	0.1605
Schistosoma mansoni	peptidase Clp (S14 family)	0.0331	0.0145	0.0145
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Onchocerca volvulus		0.0264	0.0111	0.0351
Onchocerca volvulus		0.0264	0.0111	0.0351
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0217	0.0087	0.4893
Trichomonas vaginalis	glucosylceramidase, putative	0.5249	0.2647	0.6803
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Onchocerca volvulus		0.0264	0.0111	0.0351
Echinococcus granulosus	lysine specific demethylase 5A	0.0112	0.0033	0.0033
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine protein kinase	0.0264	0.0111	0.0111
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0264	0.0111	0.7663
Loa Loa (eye worm)	TK/FER protein kinase	0.0264	0.0111	0.0111
Onchocerca volvulus		0.0264	0.0111	0.0351
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0108	0.0031	0.3564
Loa Loa (eye worm)	TK/DDR protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/KIN6 protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0111	0.0111
Echinococcus granulosus	kinase suppressor of Ras 1	0.0264	0.0111	0.0111
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0264	0.0111	0.0111
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0264	0.0111	0.0111
Loa Loa (eye worm)	serine/threonine protein kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	TK/ABL protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	PHD finger protein rhinoceros	0.0093	0.0023	0.0023
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0264	0.0111	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0331	0.0145	0.0145
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Giardia lamblia	Protein 21.1	0.0264	0.0111	1
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0264	0.0111	0.0111
Echinococcus granulosus	ephrin type A receptor 4 A	0.0264	0.0111	0.0111
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0108	0.0031	0.3564
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0264	0.0111	0.0111
Schistosoma mansoni	tyrosine kinase	0.0264	0.0111	0.0111
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.0037	0.0037
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0264	0.0111	0.0111

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 0.88 uM	Antiproliferative activity against human MCF7 cells by SRB assay	ChEMBL.	21710981
GI50 (functional)	= 2.61 uM	Antiproliferative activity against human SF539 cells by SRB assay	ChEMBL.	21710981
GI50 (functional)	= 2.98 uM	Antiproliferative activity against human UACC62 cells by SRB assay	ChEMBL.	21710981
GI50 (functional)	= 4.26 uM	Antiproliferative activity against human OVCAR3 cells by SRB assay	ChEMBL.	21710981
GI50 (functional)	= 4.76 uM	Antiproliferative activity against human DU145 cells by SRB assay	ChEMBL.	21710981
GI50 (functional)	= 5.08 uM	Antiproliferative activity against human HCT116 cells by SRB assay	ChEMBL.	21710981
GI50 (functional)	= 7.35 uM	Antiproliferative activity against human HOP62 cells by SRB assay	ChEMBL.	21710981
GI50 (functional)	= 17.7 uM	Antiproliferative activity against human SN12C cells by SRB assay	ChEMBL.	21710981
Inhibition (binding)	> 95 %	Inhibition of recombinant human TOP1 mediated DNA cleavage after 20 mins by gel electrophoresis relative to camptothecin	ChEMBL.	21710981

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: CHEMBL1822029

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1032898