TDR Targets

Basic information

Technical information

TDR Targets ID: 204705
Name: methyl 2-(6-methoxy-6-pentyldioxan-3-yl)aceta te
MW: 260.327 | Formula: C13H24O5
H donors: 0 H acceptors: 1 LogP: 2.67 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCC1(OC)CCC(OO1)CC(=O)OC
InChi: 1S/C13H24O5/c1-4-5-6-8-13(16-3)9-7-11(17-18-13)10-12(14)15-2/h11H,4-10H2,1-3H3
InChiKey: JKKOPOHLRXSFFB-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

methyl 2-(6-methoxy-6-pentyl-dioxan-3-yl)acetate
2-(6-methoxy-6-pentyl-3-dioxanyl)acetic acid methyl ester
methyl 2-(6-methoxy-6-pentyl-1,2-dioxan-3-yl)ethanoate
2-(6-amyl-6-methoxy-dioxan-3-yl)acetic acid methyl ester

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	melanoma receptor tyrosine protein kinase	0.0105415	0.0776921	0.123987
Schistosoma mansoni	P2X receptor subunit	0.0202015	0.271037	0.579076
Brugia malayi	Variant SH3 domain containing protein	0.0262427	0.391952	0.625606
Loa Loa (eye worm)	protein-tyrosine kinase	0.0129565	0.126027	0.175376
Onchocerca volvulus		0.0132863	0.132628	0.0798191
Echinococcus granulosus	breast cancer anti estrogen resistance protein	0.0129565	0.126027	0.232457
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0300448	0.46805	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0300448	0.46805	1
Brugia malayi	Variant SH3 domain containing protein	0.0129565	0.126027	0.175376
Loa Loa (eye worm)	hypothetical protein	0.0129565	0.126027	0.175376
Brugia malayi	Peripheral plasma membrane protein CASK	0.0129565	0.126027	0.175376
Brugia malayi	Fes/CIP4 homology domain containing protein	0.0129565	0.126027	0.175376
Loa Loa (eye worm)	hypothetical protein	0.0262427	0.391952	0.625606
Loa Loa (eye worm)	TK/FER protein kinase	0.0170883	0.208726	0.315392
Schistosoma mansoni	shc transforming protein	0.0132863	0.132628	0.283363
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0132863	0.132628	0.24727
Schistosoma mansoni	hypothetical protein	0.0129565	0.126027	0.26926
Loa Loa (eye worm)	TK/FER protein kinase	0.0170883	0.208726	0.315392
Brugia malayi	SH2 domain containing protein	0.0170883	0.208726	0.315392
Echinococcus multilocularis	signal transduction protein lnk realted	0.0132863	0.132628	0.24727
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0170883	0.208726	0.418044
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0170883	0.208726	0.418044
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0132863	0.132628	0.24727
Echinococcus multilocularis	tensin	0.0132863	0.132628	0.24727
Echinococcus multilocularis	tensin	0.0132863	0.132628	0.24727
Brugia malayi	Variant SH3 domain containing protein	0.0129565	0.126027	0.175376
Echinococcus granulosus	epidermal growth factor receptor	0.0105415	0.0776921	0.123987
Brugia malayi	Myosin tail family protein	0.0129565	0.126027	0.175376
Brugia malayi	hypothetical protein	0.0170883	0.208726	0.315392
Echinococcus multilocularis	breast cancer anti estrogen resistance protein	0.0129565	0.126027	0.232457
Echinococcus granulosus	fch and double sh3 domains protein 2	0.0129565	0.126027	0.232457
Schistosoma mansoni	eps8-related protein	0.0129565	0.126027	0.26926
Onchocerca volvulus		0.0132863	0.132628	0.0798191
Brugia malayi	Tensin	0.0132863	0.132628	0.186552
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0132863	0.132628	0.186552
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0132863	0.132628	0.283363
Onchocerca volvulus		0.0170883	0.208726	1
Echinococcus multilocularis	NCK adaptor protein	0.0262427	0.391952	0.829226
Brugia malayi	SH3 domain containing protein	0.0129565	0.126027	0.175376
Echinococcus granulosus	p2X purinoceptor 4	0.0202015	0.271037	0.557877
Loa Loa (eye worm)	thyroid receptor interactor	0.0129565	0.126027	0.175376
Loa Loa (eye worm)	SRC-1	0.0300448	0.46805	0.754446
Echinococcus multilocularis	SHC transforming protein 3	0.0132863	0.132628	0.24727
Schistosoma mansoni	tyrosine kinase	0.0170883	0.208726	0.445949
Loa Loa (eye worm)	TK/FER protein kinase	0.0170883	0.208726	0.315392
Schistosoma mansoni	growth factor receptor-bound protein	0.0262427	0.391952	0.837414
Trypanosoma cruzi	hypothetical protein, conserved	0.0129565	0.126027	0.5
Echinococcus granulosus	endophilin A3	0.0129565	0.126027	0.232457
Brugia malayi	SH2 domain containing protein	0.0132863	0.132628	0.186552
Loa Loa (eye worm)	hypothetical protein	0.0129565	0.126027	0.175376
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0132863	0.132628	0.186552
Echinococcus granulosus	expressed conserved protein	0.0132863	0.132628	0.24727
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Echinococcus granulosus	epidermal growth factor receptor kinase	0.0129565	0.126027	0.232457
Loa Loa (eye worm)	hypothetical protein	0.0129565	0.126027	0.175376
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Onchocerca volvulus		0.0170883	0.208726	1
Schistosoma mansoni	tensin	0.0132863	0.132628	0.283363
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0132863	0.132628	0.186552
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0132863	0.132628	0.24727
Echinococcus multilocularis		0.0132863	0.132628	0.24727
Brugia malayi	Src substrate cortactin	0.0129565	0.126027	0.175376
Echinococcus multilocularis	p2X purinoceptor 4	0.0202015	0.271037	0.557877
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0132863	0.132628	0.24727
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0132863	0.132628	0.24727
Schistosoma mansoni	P2X receptor subunit	0.0202015	0.271037	0.579076
Brugia malayi	hypothetical protein	0.0132863	0.132628	0.186552
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.0132863	0.132628	0.0798191
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0300448	0.46805	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.0170883	0.208726	0.418044
Echinococcus multilocularis	Spectrin alpha actinin	0.0129565	0.126027	0.232457
Schistosoma mansoni	tyrosine kinase	0.0300448	0.46805	1
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0129565	0.126027	0.26926
Echinococcus multilocularis	SH2 motif	0.0132863	0.132628	0.24727
Loa Loa (eye worm)	SH2 domain-containing protein	0.0132863	0.132628	0.186552
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Brugia malayi	Sex muscle abnormal protein 5	0.0262427	0.391952	0.625606
Echinococcus granulosus	SHC transforming protein 3	0.0132863	0.132628	0.24727
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0132863	0.132628	0.24727
Trypanosoma cruzi	hypothetical protein, conserved	0.0129565	0.126027	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0300448	0.46805	1
Brugia malayi	SH2 domain containing protein	0.0132863	0.132628	0.186552
Schistosoma mansoni	sh3-containing grb2-like protein 1 (endophilin II)	0.0129565	0.126027	0.26926
Echinococcus granulosus	expressed protein	0.0129565	0.126027	0.232457
Loa Loa (eye worm)	TK/FER protein kinase	0.0170883	0.208726	0.315392
Trichomonas vaginalis	conserved hypothetical protein	0.0566223	1	1
Echinococcus granulosus	tyrosine kinase	0.0170883	0.208726	0.418044
Brugia malayi	Variant SH3 domain containing protein	0.0129565	0.126027	0.175376
Loa Loa (eye worm)	TK/FER protein kinase	0.0170883	0.208726	0.315392
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0132863	0.132628	0.186552
Schistosoma mansoni	signal transducing adapter molecule (stam)	0.0129565	0.126027	0.26926
Schistosoma mansoni	nck2/grb4	0.0262427	0.391952	0.837414
Echinococcus granulosus	N chimaerin	0.0132863	0.132628	0.24727
Loa Loa (eye worm)	TK/FER protein kinase	0.0170883	0.208726	0.315392
Schistosoma mansoni	cell polarity protein	0.0129565	0.126027	0.26926
Schistosoma mansoni	tyrosine kinase	0.00778113	0.0224427	0.0479494
Brugia malayi	Tyrosine-protein kinase abl-1	0.0300448	0.46805	0.754446
Echinococcus granulosus	hematopoietic lineage cell specific protein	0.0129565	0.126027	0.232457
Loa Loa (eye worm)	hypothetical protein	0.0129565	0.126027	0.175376
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0164074	0.195097	0.292316
Schistosoma mansoni	hypothetical protein	0.0132863	0.132628	0.283363
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0132863	0.132628	0.186552
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0132863	0.132628	0.24727
Loa Loa (eye worm)	SH2 domain-containing protein	0.0132863	0.132628	0.186552
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Onchocerca volvulus		0.0132863	0.132628	0.0798191
Schistosoma mansoni	dreadlocks/dock	0.0129565	0.126027	0.26926
Echinococcus multilocularis	epidermal growth factor receptor kinase	0.0129565	0.126027	0.232457
Loa Loa (eye worm)	STAT protein	0.0132863	0.132628	0.186552
Brugia malayi	Variant SH3 domain containing protein	0.0129565	0.126027	0.175376
Schistosoma mansoni	tyrosine kinase	0.00673947	0.00159385	0.0034053
Echinococcus multilocularis	nostrin	0.0129565	0.126027	0.232457
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0132863	0.132628	0.24727
Schistosoma mansoni	formin binding protein and related proteins	0.0129565	0.126027	0.26926
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0300448	0.46805	1
Schistosoma mansoni	Dab2-interacting protein-like	0.0129565	0.126027	0.26926
Loa Loa (eye worm)	protein kinase C and casein kinase substrate in neurons protein 2	0.0129565	0.126027	0.175376
Schistosoma mansoni	growth factor receptor-bound protein	0.0262427	0.391952	0.837414
Onchocerca volvulus		0.0170883	0.208726	1
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0132863	0.132628	0.24727
Schistosoma mansoni	GTPase activating protein	0.0132863	0.132628	0.283363
Schistosoma mansoni	run and tbc1 domain containing	0.0129565	0.126027	0.26926
Schistosoma mansoni	tyrosine kinase	0.00673947	0.00159385	0.0034053
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0132863	0.132628	0.283363
Brugia malayi	SH2 domain containing protein	0.0132863	0.132628	0.186552
Echinococcus granulosus	SH2 motif	0.0132863	0.132628	0.24727
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Schistosoma mansoni	tensin-related	0.0132863	0.132628	0.283363
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0262427	0.391952	0.837414
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0262427	0.391952	0.829226
Schistosoma mansoni	hypothetical protein	0.0129565	0.126027	0.26926
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0170883	0.208726	0.418044
Schistosoma mansoni	tensin	0.0132863	0.132628	0.283363
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0170883	0.208726	0.418044
Brugia malayi	SH2 domain containing protein	0.0132863	0.132628	0.186552
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0132863	0.132628	0.24727
Echinococcus multilocularis	epidermal growth factor receptor	0.0105415	0.0776921	0.123987
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0132863	0.132628	0.24727
Echinococcus multilocularis	expressed protein	0.0129565	0.126027	0.232457
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Loa Loa (eye worm)	TK/ABL protein kinase	0.0170883	0.208726	0.315392
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0372911	0.613085	1
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Echinococcus multilocularis	integrin beta 2	0.025214	0.371363	0.78302
Echinococcus multilocularis	hematopoietic lineage cell specific protein	0.0129565	0.126027	0.232457
Onchocerca volvulus		0.0170883	0.208726	1
Loa Loa (eye worm)	hypothetical protein	0.0129565	0.126027	0.175376
Loa Loa (eye worm)	cyclin domain-containing protein	0.0372911	0.613085	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0300448	0.46805	1
Loa Loa (eye worm)	p53BP2	0.0129565	0.126027	0.175376
Loa Loa (eye worm)	SH2 domain-containing protein	0.0132863	0.132628	0.186552
Trypanosoma cruzi	paraflagellar rod protein 5, putative	0.0129565	0.126027	0.5
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Echinococcus granulosus	SH2 domain containing protein 7	0.0132863	0.132628	0.24727
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0170883	0.208726	1
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0132863	0.132628	0.283363
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Schistosoma mansoni	tyrosine kinase	0.0105415	0.0776921	0.165991
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0132863	0.132628	0.24727
Schistosoma mansoni	tyrosine kinase	0.0300448	0.46805	1
Brugia malayi	Protein kinase domain containing protein	0.0170883	0.208726	0.315392
Echinococcus multilocularis	c src tyrosine kinase	0.0300448	0.46805	1
Brugia malayi	Protein kinase domain containing protein	0.0170883	0.208726	0.315392
Loa Loa (eye worm)	TK/FER protein kinase	0.0170883	0.208726	0.315392
Schistosoma mansoni	tyrosine kinase	0.0105415	0.0776921	0.165991
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0300448	0.46805	1
Echinococcus granulosus	slit robo rho gtpase activating protein 1	0.0129565	0.126027	0.232457
Schistosoma mansoni	vav2	0.0132863	0.132628	0.283363
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0132863	0.132628	0.186552
Echinococcus granulosus	SH2 motif	0.0132863	0.132628	0.24727
Brugia malayi	SH2 domain containing protein	0.0132863	0.132628	0.186552
Schistosoma mansoni	tyrosine kinase	0.0164074	0.195097	0.416829
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0300448	0.46805	1
Echinococcus multilocularis	tyrosine kinase	0.0170883	0.208726	0.418044
Entamoeba histolytica	SH2 domain containing protein	0.0132863	0.132628	0.0798191
Brugia malayi	Furin-like cysteine rich region family protein	0.0164074	0.195097	0.292316
Echinococcus multilocularis	N chimaerin	0.0132863	0.132628	0.24727
Loa Loa (eye worm)	hypothetical protein	0.0129565	0.126027	0.175376
Onchocerca volvulus		0.0170883	0.208726	1
Trypanosoma brucei	conserved protein	0.0129565	0.126027	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0164074	0.195097	0.387458
Brugia malayi	RhoGAP domain containing protein	0.0132863	0.132628	0.186552
Brugia malayi	Variant SH3 domain containing protein	0.0132863	0.132628	0.186552
Loa Loa (eye worm)	hypothetical protein	0.0129565	0.126027	0.175376
Brugia malayi	Protein kinase domain containing protein	0.0170883	0.208726	0.315392
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0170883	0.208726	0.418044
Schistosoma mansoni	adapter molecule crk	0.0262427	0.391952	0.837414
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0132863	0.132628	0.24727
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0132863	0.132628	0.24727
Echinococcus granulosus	Spectrin alpha actinin	0.0129565	0.126027	0.232457
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0300448	0.46805	1
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.0132863	0.132628	0.0798191
Onchocerca volvulus		0.0132863	0.132628	0.0798191
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0300448	0.46805	1
Echinococcus multilocularis	p2X purinoceptor 4	0.0202015	0.271037	0.557877
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0132863	0.132628	0.24727
Brugia malayi	Integrin beta pat-3 precursor	0.0338975	0.545162	0.885001
Loa Loa (eye worm)	hypothetical protein	0.0129565	0.126027	0.175376
Trypanosoma cruzi	hypothetical protein, conserved	0.0129565	0.126027	0.5
Brugia malayi	SRC-1	0.0300448	0.46805	0.754446
Loa Loa (eye worm)	TK/FER protein kinase	0.0170883	0.208726	0.315392
Echinococcus multilocularis	tyrosine protein kinase shark	0.0170883	0.208726	0.418044
Entamoeba histolytica	protein kinase, putative	0.0132863	0.132628	0.0798191
Loa Loa (eye worm)	hypothetical protein	0.0129565	0.126027	0.175376
Schistosoma mansoni	tensin-related	0.0132863	0.132628	0.283363
Echinococcus multilocularis	intersectin 2	0.0129565	0.126027	0.232457
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0170883	0.208726	0.418044
Echinococcus multilocularis	endophilin A3	0.0129565	0.126027	0.232457
Schistosoma mansoni	hypothetical protein	0.0132863	0.132628	0.283363
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0262427	0.391952	0.625606
Schistosoma mansoni	apoptosis stimulating of P53	0.0129565	0.126027	0.26926
Echinococcus multilocularis	SH2 motif	0.0132863	0.132628	0.24727
Echinococcus granulosus	p2X purinoceptor 4	0.0202015	0.271037	0.557877
Schistosoma mansoni	signal transduction protein lnk-related	0.0132863	0.132628	0.283363
Schistosoma mansoni	SH2A	0.0132863	0.132628	0.283363
Brugia malayi	protein-tyrosine kinase	0.0129565	0.126027	0.175376
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0129565	0.126027	0.232457
Echinococcus multilocularis	slit robo rho gtpase activating protein 1	0.0129565	0.126027	0.232457
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0300448	0.46805	1
Loa Loa (eye worm)	TK protein kinase	0.0170883	0.208726	0.315392
Echinococcus multilocularis	transfer RNA-Ala	0.0129565	0.126027	0.232457
Echinococcus granulosus	hypothetical protein	0.0132863	0.132628	0.24727
Schistosoma mansoni	integrin beta subunit	0.0201237	0.26948	0.575751
Brugia malayi	Variant SH3 domain containing protein	0.0262427	0.391952	0.625606
Echinococcus granulosus	tensin	0.0132863	0.132628	0.24727
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Echinococcus granulosus	NCK adaptor protein	0.0262427	0.391952	0.829226
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0132863	0.132628	0.0798191
Brugia malayi	SH2 domain containing protein	0.0132863	0.132628	0.186552
Echinococcus granulosus	tyrosine kinase	0.0170883	0.208726	0.418044
Brugia malayi	Spectrin alpha chain	0.0129565	0.126027	0.175376
Schistosoma mansoni	sorting nexin	0.0129565	0.126027	0.26926
Echinococcus granulosus	signal transduction protein lnk realted	0.0132863	0.132628	0.24727
Echinococcus multilocularis	SH2 motif	0.0132863	0.132628	0.24727
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0132863	0.132628	0.24727
Schistosoma mansoni	tyrosine kinase	0.0300448	0.46805	1
Onchocerca volvulus		0.0170883	0.208726	1
Echinococcus multilocularis	rho guanine nucleotide exchange factor 7	0.0129565	0.126027	0.232457
Echinococcus granulosus	growth factor receptor bound protein 2	0.0262427	0.391952	0.829226
Schistosoma mansoni	tyrosine kinase	0.0300448	0.46805	1
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0132863	0.132628	0.186552
Schistosoma mansoni	sorbin	0.0129565	0.126027	0.26926
Onchocerca volvulus		0.0132863	0.132628	0.0798191
Echinococcus granulosus	nostrin	0.0129565	0.126027	0.232457
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0129565	0.126027	0.232457
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0300448	0.46805	1
Echinococcus granulosus	p2X purinoceptor 4	0.0202015	0.271037	0.557877
Echinococcus granulosus	integrin beta 2	0.025214	0.371363	0.78302
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0170883	0.208726	0.418044
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0300448	0.46805	1
Echinococcus granulosus	intersectin 2	0.0129565	0.126027	0.232457
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Loa Loa (eye worm)	TK/FER protein kinase	0.0170883	0.208726	0.315392
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0132863	0.132628	0.186552
Schistosoma mansoni	dynamin-associated protein	0.0129565	0.126027	0.26926
Loa Loa (eye worm)	guanylate kinase	0.0129565	0.126027	0.175376
Leishmania major	hypothetical protein, conserved	0.0129565	0.126027	0.5
Schistosoma mansoni	tyrosine kinase	0.00673947	0.00159385	0.0034053
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0300448	0.46805	1
Echinococcus granulosus	c src tyrosine kinase	0.0300448	0.46805	1
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0132863	0.132628	0.283363
Brugia malayi	Protein kinase domain containing protein	0.0170883	0.208726	0.315392
Brugia malayi	SH2 domain containing protein	0.0132863	0.132628	0.186552
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0300448	0.46805	1
Brugia malayi	Variant SH3 domain containing protein	0.0129565	0.126027	0.175376
Schistosoma mansoni	tyrosine kinase	0.00778113	0.0224427	0.0479494
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0262427	0.391952	0.625606
Schistosoma mansoni	slit-robo rho gtpase activating protein	0.0129565	0.126027	0.26926
Loa Loa (eye worm)	integrin beta-2	0.0338975	0.545162	0.885001
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0300448	0.46805	1
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Schistosoma mansoni	tensin	0.0132863	0.132628	0.283363
Schistosoma mansoni	C-fyn	0.0129565	0.126027	0.26926
Brugia malayi	Variant SH3 domain containing protein	0.0129565	0.126027	0.175376
Schistosoma mansoni	suppressor of cytokine signaling	0.0132863	0.132628	0.283363
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0300448	0.46805	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0300448	0.46805	1
Echinococcus granulosus	tyrosine protein kinase Srms	0.0170883	0.208726	0.418044
Echinococcus multilocularis	p2X purinoceptor 4	0.0202015	0.271037	0.557877
Brugia malayi	Guanylate kinase family protein	0.0129565	0.126027	0.175376
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0300448	0.46805	1
Loa Loa (eye worm)	hypothetical protein	0.0132863	0.132628	0.186552
Brugia malayi	Protein kinase domain containing protein	0.0170883	0.208726	0.315392
Echinococcus granulosus	tyrosine protein kinase shark	0.0170883	0.208726	0.418044
Loa Loa (eye worm)	TK/FER protein kinase	0.0170883	0.208726	0.315392
Trichomonas vaginalis	conserved hypothetical protein	0.0566223	1	1
Schistosoma mansoni	tyrosine kinase	0.0170883	0.208726	0.445949
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0170883	0.208726	0.418044
Schistosoma mansoni	serine/threonine protein kinase	0.0167585	0.202125	0.431845
Echinococcus multilocularis	fch and double sh3 domains protein 2	0.0129565	0.126027	0.232457
Echinococcus multilocularis	SH2 domain containing protein 7	0.0132863	0.132628	0.24727
Schistosoma mansoni	suppressor of cytokine signaling	0.0132863	0.132628	0.283363
Echinococcus granulosus	src region	0.0129565	0.126027	0.232457
Brugia malayi	protein-tyrosine kinase	0.0170883	0.208726	0.315392
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0132863	0.132628	0.24727
Echinococcus granulosus	rho guanine nucleotide exchange factor 7	0.0129565	0.126027	0.232457
Brugia malayi	SH2 domain containing protein	0.0170883	0.208726	0.315392
Echinococcus multilocularis	epidermal growth factor receptor	0.0164074	0.195097	0.387458
Brugia malayi	Variant SH3 domain containing protein	0.0132863	0.132628	0.186552
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0300448	0.46805	1
Onchocerca volvulus		0.0132863	0.132628	0.0798191
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0132863	0.132628	0.24727
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0129565	0.126027	0.175376
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0300448	0.46805	1
Loa Loa (eye worm)	hypothetical protein	0.0170883	0.208726	0.315392

Activities

Activity type	Activity value	Assay description	Source	Reference
cLogP	= 2.17	The partition coefficient of the compound was reported	ChEMBL.	11738575
cLogP (ADMET)	= 2.17	cLogP of the compound was determined	ChEMBL.	14592512
ED50 (functional)	> 30 mg kg-1	In vitro anti-malarial activity of the compound against P. berghei	ChEMBL.	14592512
ED50 (functional)	> 30 mg kg-1	In vitro anti-malarial activity of the compound against P. berghei	ChEMBL.	14592512
IC50 (functional)	= 0.12 uM	Concentration required for antimalarial activity against Plasmodium falciparum	ChEMBL.	15177463
IC50 (functional)	= 0.12 uM	Compound was tested for antimalarial activity against P. falciparum	ChEMBL.	11738575
IC50 (functional)	= 0.12 uM	In vitro anti-malarial activity of the compound against P. falciparum	ChEMBL.	14592512
IC50 (functional)	= 0.12 uM	Concentration required for antimalarial activity against Plasmodium falciparum	ChEMBL.	15177463
IC50 (functional)	= 0.12 uM	Compound was tested for antimalarial activity against P. falciparum	ChEMBL.	11738575
IC50 (functional)	= 0.12 uM	In vitro anti-malarial activity of the compound against P. falciparum	ChEMBL.	14592512
IC50 (functional)	= 0.22 uM	Compound was tested for antimalarial activity against P. falciparum	ChEMBL.	11738575
IC50 (functional)	= 0.22 uM	Compound was tested for antimalarial activity against P. falciparum	ChEMBL.	11738575
IC50 (functional)	= 43 uM	Compound was tested for antimalarial activity against human epidermoid carcinoma KB 3-1	ChEMBL.	11738575
IC50 (functional)	= 43 uM	In vitro anti-malarial activity of the compound against KB 3-1	ChEMBL.	14592512
IC50 (functional)	= 43 uM	Compound was tested for antimalarial activity against human epidermoid carcinoma KB 3-1	ChEMBL.	11738575
IC50 (functional)	= 43 uM	In vitro anti-malarial activity of the compound against KB 3-1	ChEMBL.	14592512
IC50 (functional)	= 77 uM	Compound was tested for antimalarial activity against human epidermoid carcinoma KB 3-1	ChEMBL.	11738575
IC50 (functional)	= 77 uM	Compound was tested for antimalarial activity against human epidermoid carcinoma KB 3-1	ChEMBL.	11738575
IC50 (functional)	= 82 uM	Compound was tested for antimalarial activity against human epidermoid carcinoma KB 3-1	ChEMBL.	11738575
IC50 (functional)	= 82 uM	Compound was tested for antimalarial activity against human epidermoid carcinoma KB 3-1	ChEMBL.	11738575
Ratio (ADMET)	= 350	Selective toxicity index between parasite and cells of host-animals, human epidermoid carcinoma KB 3-1	ChEMBL.	11738575
Ratio (ADMET)	= 360	Selective toxicity index between parasite and cells of host-animals, human epidermoid carcinoma KB 3-1	ChEMBL.	11738575
Ratio (ADMET)	= 370	Selective toxicity index between parasite and cells of host-animals, human epidermoid carcinoma KB 3-1	ChEMBL.	11738575
Selectivity index (functional)	= 360	Selectivity index of the compound was determined	ChEMBL.	14592512
T/C (functional)	= 81	Survival days of the treated animal to that of control animal at a dose of 10 mg/kg	ChEMBL.	14592512

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	11738575

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: CHEMBL119737
PubChem: 10038236

Bibliographic References

3 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 204705