TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 783.047 | Formula: C48H66N2O7
H donors: 1 H acceptors: 5 LogP: 8.73 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1cc(CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)[C@@H](OC(=O)C)C[C@H]2[C@H]3[C@H](OC(=O)C)C[C@H]3[C@]2(C)CC[C@H](C3)OC(=O)C)C)nc2c1cccc2)O
InChi: 1S/C48H66N2O7/c1-8-31-26-50-20-18-32(31)21-42(50)46(54)37-24-34(49-41-12-10-9-11-36(37)41)14-13-27(2)38-15-16-39-45-40(25-44(48(38,39)7)57-30(5)53)47(6)19-17-35(55-28(3)51)22-33(47)23-43(45)56-29(4)52/h8-12,24,27,31-33,35,38-40,42-46,54H,1,13-23,25-26H2,2-7H3/t27-,31+,32+,33+,35-,38-,39+,40+,42+,43-,44+,45+,46-,47+,48-/m1/s1
InChiKey: GNQMGGMRQKBQBA-BVLBAWJFSA-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
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Schistosoma mansoni	adapter molecule crk	0.0813	0.331	0.331
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1356	1	1
Schistosoma mansoni	hypothetical protein	0.0813	0.331	0.331
Onchocerca volvulus		0.0813	0.331	0.331
Loa Loa (eye worm)	STAT protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1356	1	1
Schistosoma mansoni	shc transforming protein	0.0813	0.331	0.331
Echinococcus multilocularis		0.0813	0.331	0.331
Brugia malayi	SH2 domain containing protein	0.0813	0.331	0.331
Trypanosoma brucei	protein kinase, putative	0.0544	0	0.5
Giardia lamblia	Kinase, NEK	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0544	0	0.5
Loa Loa (eye worm)	SRC-1	0.1356	1	1
Giardia lamblia	Protein 21.1	0.0544	0	0.5
Leishmania major	hypothetical protein, conserved	0.0544	0	0.5
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0813	0.331	0.331
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0813	0.331	0.331
Plasmodium falciparum	tyrosine kinase-like protein	0.0544	0	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.1356	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0544	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Echinococcus granulosus	tyrosine kinase	0.1356	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Trypanosoma cruzi	protein kinase, putative	0.0544	0	0.5
Schistosoma mansoni	growth factor receptor-bound protein	0.0813	0.331	0.331
Echinococcus granulosus	signal transduction protein lnk realted	0.0813	0.331	0.331
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0813	0.331	0.331
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Onchocerca volvulus		0.1356	1	1
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.0813	0.331	0.331
Plasmodium vivax	protein kinase, putative	0.0544	0	0.5
Brugia malayi	Tensin	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.1356	1	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Onchocerca volvulus		0.1356	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1356	1	1
Giardia lamblia	Kinase, NEK	0.0544	0	0.5
Echinococcus granulosus	tyrosine protein kinase ABL1	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Brugia malayi	SH2 domain containing protein	0.0813	0.331	0.331
Echinococcus multilocularis	tyrosine protein kinase Abl	0.1356	1	1
Onchocerca volvulus		0.0813	0.331	0.331
Schistosoma mansoni	SH2A	0.0813	0.331	0.331
Toxoplasma gondii	STE kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus multilocularis	tyrosine protein kinase shark	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.1356	1	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.1356	1	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Schistosoma mansoni	tyrosine kinase	0.1356	1	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Onchocerca volvulus		0.1356	1	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0544	0	0.5
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0813	0.331	0.331
Echinococcus granulosus	c src tyrosine kinase	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Schistosoma mansoni	vav2	0.0813	0.331	0.331
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.0544	0	0.5
Loa Loa (eye worm)	SH2 domain-containing protein	0.0813	0.331	0.331
Trichomonas vaginalis	conserved hypothetical protein	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Schistosoma mansoni	tyrosine kinase	0.1356	1	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.1356	1	1
Brugia malayi	hypothetical protein	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0813	0.331	0.331
Loa Loa (eye worm)	TK/FER protein kinase	0.1356	1	1
Echinococcus granulosus	growth factor receptor bound protein 2	0.0813	0.331	0.331
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0813	0.331	0.331
Brugia malayi	SH2 domain containing protein	0.1356	1	1
Brugia malayi	protein-tyrosine kinase	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus multilocularis	SH2 motif	0.0813	0.331	0.331
Onchocerca volvulus		0.0813	0.331	0.331
Echinococcus multilocularis	SH2 motif	0.0813	0.331	0.331
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0544	0	0.5
Schistosoma mansoni	tensin-related	0.0813	0.331	0.331
Brugia malayi	Protein kinase domain containing protein	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0813	0.331	0.331
Onchocerca volvulus		0.1356	1	1
Brugia malayi	Sex muscle abnormal protein 5	0.0813	0.331	0.331
Loa Loa (eye worm)	TK/FER protein kinase	0.1356	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0544	0	0.5
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.1356	1	1
Schistosoma mansoni	suppressor of cytokine signaling	0.0813	0.331	0.331
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0813	0.331	0.331
Trichomonas vaginalis	conserved hypothetical protein	0.0544	0	0.5
Onchocerca volvulus		0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Onchocerca volvulus		0.0813	0.331	0.331
Loa Loa (eye worm)	TK/FER protein kinase	0.1356	1	1
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0544	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Onchocerca volvulus		0.1356	1	1
Trypanosoma brucei	Pseudokinase, putative	0.0544	0	0.5
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0813	0.331	0.331
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0813	0.331	0.331
Brugia malayi	Protein kinase domain containing protein	0.1356	1	1
Brugia malayi	SH2 domain containing protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Leishmania major	protein kinase, putative	0.0544	0	0.5
Schistosoma mansoni	nck2/grb4	0.0813	0.331	0.331
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1356	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trypanosoma brucei	Flagellum attachment zone protein 20	0.0544	0	0.5
Schistosoma mansoni	signal transduction protein lnk-related	0.0813	0.331	0.331
Entamoeba histolytica	protein kinase, putative	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	protein tyrosine kinase, putative	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Schistosoma mansoni	tensin	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0813	0.331	0.331
Loa Loa (eye worm)	TK/FER protein kinase	0.1356	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Brugia malayi	SRC-1	0.1356	1	1
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0813	0.331	0.331
Schistosoma mansoni	GTPase activating protein	0.0813	0.331	0.331
Loa Loa (eye worm)	TK/FER protein kinase	0.1356	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Toxoplasma gondii	protein kinase	0.0544	0	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.1356	1	1
Echinococcus multilocularis	SH2 motif	0.0813	0.331	0.331
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Giardia lamblia	Kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Schistosoma mansoni	growth factor receptor-bound protein	0.0813	0.331	0.331
Schistosoma mansoni	tensin	0.0813	0.331	0.331
Loa Loa (eye worm)	SH2 domain-containing protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Loa Loa (eye worm)	SH2 domain-containing protein	0.0813	0.331	0.331
Brugia malayi	Variant SH3 domain containing protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus multilocularis	signal transduction protein lnk realted	0.0813	0.331	0.331
Echinococcus multilocularis	SH2 domain containing protein 7	0.0813	0.331	0.331
Echinococcus granulosus	NCK adaptor protein	0.0813	0.331	0.331
Echinococcus granulosus	tyrosine protein kinase Src64B	0.1356	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Echinococcus multilocularis	c src tyrosine kinase	0.1356	1	1
Trichomonas vaginalis	protein kinase atn1, putative	0.0544	0	0.5
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.1356	1	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.1356	1	1
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.1356	1	1
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0813	0.331	0.331
Plasmodium falciparum	tyrosine kinase-like protein	0.0544	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.1356	1	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0813	0.331	0.331
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0813	0.331	0.331
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.1356	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.1356	1	1
Trichomonas vaginalis	STE family protein kinase	0.0544	0	0.5
Schistosoma mansoni	tyrosine kinase	0.1356	1	1
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.0544	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Schistosoma mansoni	tensin-related	0.0813	0.331	0.331
Entamoeba histolytica	SH2 domain containing protein	0.0813	0.331	0.331
Loa Loa (eye worm)	TK/FER protein kinase	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus granulosus	expressed conserved protein	0.0813	0.331	0.331
Echinococcus granulosus	tyrosine protein kinase shark	0.1356	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Echinococcus granulosus	tyrosine kinase	0.1356	1	1
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0813	0.331	0.331
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0813	0.331	0.331
Plasmodium falciparum	protein kinase, putative	0.0544	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0544	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0813	0.331	0.331
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0813	0.331	0.331
Echinococcus multilocularis	tyrosine kinase	0.1356	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0544	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.1356	1	1
Onchocerca volvulus		0.1356	1	1
Echinococcus multilocularis	tensin	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0813	0.331	0.331
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0544	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0813	0.331	0.331
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.0813	0.331	0.331
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1356	1	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0813	0.331	0.331
Echinococcus granulosus	tyrosine protein kinase Blk	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus granulosus	SH2 motif	0.0813	0.331	0.331
Schistosoma mansoni	tensin	0.0813	0.331	0.331
Trichomonas vaginalis	conserved hypothetical protein	0.0544	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Srms	0.1356	1	1
Echinococcus granulosus	SH2 domain containing protein 7	0.0813	0.331	0.331
Echinococcus granulosus	tyrosine protein kinase Src42A	0.1356	1	1
Echinococcus granulosus	N chimaerin	0.0813	0.331	0.331
Brugia malayi	SH2 domain containing protein	0.1356	1	1
Echinococcus granulosus	SHC transforming protein 3	0.0813	0.331	0.331
Echinococcus multilocularis	tensin	0.0813	0.331	0.331
Echinococcus granulosus	tyrosine protein kinase Lyn	0.1356	1	1
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0544	0	0.5
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.1356	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Echinococcus multilocularis	SHC transforming protein 3	0.0813	0.331	0.331
Echinococcus multilocularis	NCK adaptor protein	0.0813	0.331	0.331
Brugia malayi	Variant SH3 domain containing protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trypanosoma cruzi	protein kinase, putative	0.0544	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.1356	1	1
Toxoplasma gondii	protein kinase domain-containing protein	0.0544	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0544	0	0.5
Trichomonas vaginalis	TK family protein kinase	0.0544	0	0.5
Schistosoma mansoni	suppressor of cytokine signaling	0.0813	0.331	0.331
Brugia malayi	SH2 domain containing protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.0544	0	0.5
Echinococcus granulosus	SH2 motif	0.0813	0.331	0.331
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.1356	1	1
Brugia malayi	SH2 domain containing protein	0.0813	0.331	0.331
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.1356	1	1
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0813	0.331	0.331
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0544	0	0.5
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0813	0.331	0.331
Brugia malayi	Tyrosine-protein kinase abl-1	0.1356	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0544	0	0.5
Brugia malayi	RhoGAP domain containing protein	0.0813	0.331	0.331
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0813	0.331	0.331
Schistosoma mansoni	tyrosine kinase	0.1356	1	1
Brugia malayi	Variant SH3 domain containing protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Leishmania major	protein kinase, putative	0.0544	0	0.5
Brugia malayi	SH2 domain containing protein	0.0813	0.331	0.331
Schistosoma mansoni	tyrosine kinase	0.1356	1	1
Echinococcus multilocularis	N chimaerin	0.0813	0.331	0.331
Echinococcus granulosus	tyrosine protein kinase Srms	0.1356	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	0.331	0.331
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0813	0.331	0.331
Schistosoma mansoni	hypothetical protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Brugia malayi	hypothetical protein	0.0813	0.331	0.331
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0544	0	0.5
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0813	0.331	0.331
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.0544	0	0.5
Brugia malayi	SH2 domain containing protein	0.0813	0.331	0.331
Loa Loa (eye worm)	hypothetical protein	0.1356	1	1
Schistosoma mansoni	tyrosine kinase	0.1356	1	1
Onchocerca volvulus		0.0813	0.331	0.331
Echinococcus granulosus	hypothetical protein	0.0813	0.331	0.331
Loa Loa (eye worm)	TK protein kinase	0.1356	1	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0813	0.331	0.331
Echinococcus granulosus	tensin	0.0813	0.331	0.331
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0813	0.331	0.331
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0813	0.331	0.331
Trichomonas vaginalis	TKL family protein kinase	0.0544	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 40.6 nM	Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as reduction in parasite viability by parasite lactate dehydrogenase assay	ChEMBL.	26063305
IC50 (functional)	= 1.47 uM	Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstream forms by microtiter plate based assay	ChEMBL.	26063305
Ratio IC50 (functional)	= 23.7	Potency index, ratio of IC50 for CND to IC50 for test compound against Plasmodium falciparum 3D7 by parasite lactate dehydrogenase assay	ChEMBL.	26063305
Ratio IC50 (functional)	= 42.4	Potency index, ratio of IC50 for CND to IC50 for test compound against Trypanosoma brucei brucei Lister 427 bloodstream forms by microtiter plate based assay	ChEMBL.	26063305

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma brucei gambiense		26063305
Plasmodium falciparum		26063305

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: CHEMBL3589982

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2095949