TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 441.482 | Formula: C25H23N5O3
H donors: 2 H acceptors: 2 LogP: 1.9 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc2c(c1)c(=O)n1c(n2)c2[nH]c3c(c2cc1)cccc3)CCN1CCOCC1
InChi: 1S/C25H23N5O3/c31-22(8-9-29-11-13-33-14-12-29)26-16-5-6-21-19(15-16)25(32)30-10-7-18-17-3-1-2-4-20(17)27-23(18)24(30)28-21/h1-7,10,15,27H,8-9,11-14H2,(H,26,31)
InChiKey: HAYSFYXYOUEPDQ-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
Electrophorus electricus	Acetylcholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	633 aa	690 aa	32.3 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	633 aa	576 aa	28.8 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	633 aa	507 aa	23.9 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	517 aa	25.1 %
Onchocerca volvulus		Acetylcholinesterase	633 aa	648 aa	25.3 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	597 aa	25.1 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	633 aa	690 aa	31.7 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	633 aa	549 aa	30.4 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	576 aa	23.4 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	633 aa	622 aa	24.9 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	620 aa	28.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.2137	1	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.2137	1	1
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Leishmania major	protein kinase, putative	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.2137	1	1
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.1279	0.3292	0.3292
Echinococcus granulosus	signal transduction protein lnk realted	0.1279	0.3292	0.3292
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.1279	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Echinococcus granulosus	c src tyrosine kinase	0.2137	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.2137	1	1
Brugia malayi	Variant SH3 domain containing protein	0.1279	0.3292	0.3292
Leishmania major	hypothetical protein, conserved	0.0858	0	0.5
Plasmodium falciparum	tyrosine kinase-like protein	0.0858	0	0.5
Loa Loa (eye worm)	TK/ABL protein kinase	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.2137	1	1
Loa Loa (eye worm)	SH2 domain-containing protein	0.1279	0.3292	0.3292
Onchocerca volvulus		0.1279	0.3292	0.3292
Schistosoma mansoni	growth factor receptor-bound protein	0.1279	0.3292	0.3292
Schistosoma mansoni	hypothetical protein	0.1279	0.3292	0.3292
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1279	0.3292	0.3292
Echinococcus granulosus	SH2 motif	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.2137	1	1
Echinococcus granulosus	tyrosine protein kinase shark	0.2137	1	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.1279	0.3292	0.3292
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.1279	0.3292	0.3292
Schistosoma mansoni	suppressor of cytokine signaling	0.1279	0.3292	0.3292
Leishmania major	protein kinase, putative	0.0858	0	0.5
Schistosoma mansoni	shc transforming protein	0.1279	0.3292	0.3292
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.2137	1	1
Schistosoma mansoni	tensin-related	0.1279	0.3292	0.3292
Echinococcus multilocularis	tyrosine protein kinase Abl	0.2137	1	1
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Brugia malayi	SH2 domain containing protein	0.1279	0.3292	0.3292
Onchocerca volvulus		0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	protein kinase atn1, putative	0.0858	0	0.5
Trypanosoma cruzi	protein kinase, putative	0.0858	0	0.5
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.1279	0.3292	0.3292
Schistosoma mansoni	tyrosine kinase	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.0858	0	0.5
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0858	0	0.5
Schistosoma mansoni	tyrosine kinase	0.2137	1	1
Schistosoma mansoni	tensin-related	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Brugia malayi	Tyrosine-protein kinase abl-1	0.2137	1	1
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src64B	0.2137	1	1
Plasmodium falciparum	tyrosine kinase-like protein	0.0858	0	0.5
Brugia malayi	Variant SH3 domain containing protein	0.1279	0.3292	0.3292
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Onchocerca volvulus		0.1279	0.3292	0.3292
Trichomonas vaginalis	conserved hypothetical protein	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1279	0.3292	0.3292
Echinococcus multilocularis	tyrosine protein kinase shark	0.2137	1	1
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.1279	0.3292	0.3292
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.2137	1	1
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0858	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0858	0	0.5
Plasmodium vivax	protein kinase, putative	0.0858	0	0.5
Giardia lamblia	Kinase, NEK	0.0858	0	0.5
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.2137	1	1
Echinococcus granulosus	tyrosine kinase	0.2137	1	1
Schistosoma mansoni	tensin	0.1279	0.3292	0.3292
Schistosoma mansoni	SH2A	0.1279	0.3292	0.3292
Brugia malayi	SH2 domain containing protein	0.2137	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0858	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.1279	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Toxoplasma gondii	protein kinase domain-containing protein	0.0858	0	0.5
Entamoeba histolytica	SH2 domain containing protein	0.1279	0.3292	0.3292
Echinococcus granulosus	tyrosine protein kinase ABL1	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.1279	0.3292	0.3292
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.2137	1	1
Echinococcus multilocularis	SH2 domain containing protein 7	0.1279	0.3292	0.3292
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.1279	0.3292	0.3292
Brugia malayi	SH2 domain containing protein	0.1279	0.3292	0.3292
Schistosoma mansoni	signal transduction protein lnk-related	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Brugia malayi	SH2 domain containing protein	0.1279	0.3292	0.3292
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.1279	0.3292	0.3292
Echinococcus multilocularis	tyrosine protein kinase Srms	0.2137	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.2137	1	1
Echinococcus multilocularis	NCK adaptor protein	0.1279	0.3292	0.3292
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.1279	0.3292	0.3292
Onchocerca volvulus		0.1279	0.3292	0.3292
Loa Loa (eye worm)	TK/FER protein kinase	0.2137	1	1
Echinococcus multilocularis	tyrosine kinase	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.2137	1	1
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.0858	0	0.5
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.0858	0	0.5
Onchocerca volvulus		0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus granulosus	SH2 motif	0.1279	0.3292	0.3292
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0858	0	0.5
Echinococcus multilocularis		0.1279	0.3292	0.3292
Echinococcus multilocularis	tyrosine protein kinase Blk	0.2137	1	1
Echinococcus multilocularis	SH2 motif	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Schistosoma mansoni	adapter molecule crk	0.1279	0.3292	0.3292
Brugia malayi	protein-tyrosine kinase	0.2137	1	1
Trichomonas vaginalis	TK family protein kinase	0.0858	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.2137	1	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus multilocularis	tensin	0.1279	0.3292	0.3292
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0858	0	0.5
Loa Loa (eye worm)	STAT protein	0.1279	0.3292	0.3292
Onchocerca volvulus		0.1279	0.3292	0.3292
Echinococcus multilocularis	signal transduction protein lnk realted	0.1279	0.3292	0.3292
Onchocerca volvulus		0.2137	1	1
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.1279	0.3292	0.3292
Schistosoma mansoni	GTPase activating protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.2137	1	1
Echinococcus granulosus	expressed conserved protein	0.1279	0.3292	0.3292
Loa Loa (eye worm)	TK/FER protein kinase	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Schistosoma mansoni	nck2/grb4	0.1279	0.3292	0.3292
Schistosoma mansoni	tensin	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus granulosus	tyrosine kinase	0.2137	1	1
Echinococcus multilocularis	SH2 motif	0.1279	0.3292	0.3292
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.1279	0.3292	0.3292
Echinococcus multilocularis	c src tyrosine kinase	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Onchocerca volvulus		0.1279	0.3292	0.3292
Brugia malayi	Tensin	0.1279	0.3292	0.3292
Brugia malayi	hypothetical protein	0.2137	1	1
Trypanosoma brucei	Flagellum attachment zone protein 20	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Onchocerca volvulus		0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Brugia malayi	SH2 domain containing protein	0.1279	0.3292	0.3292
Plasmodium falciparum	protein kinase, putative	0.0858	0	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0858	0	0.5
Onchocerca volvulus		0.2137	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.2137	1	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	STE family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.2137	1	1
Brugia malayi	SH2 domain containing protein	0.1279	0.3292	0.3292
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.2137	1	1
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.2137	1	1
Toxoplasma gondii	protein kinase	0.0858	0	0.5
Echinococcus granulosus	suppressor of cytokine signaling 7	0.1279	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Onchocerca volvulus		0.2137	1	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.2137	1	1
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Giardia lamblia	Kinase, NEK	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Schistosoma mansoni	suppressor of cytokine signaling	0.1279	0.3292	0.3292
Brugia malayi	Variant SH3 domain containing protein	0.1279	0.3292	0.3292
Entamoeba histolytica	protein kinase, putative	0.1279	0.3292	0.3292
Schistosoma mansoni	tyrosine kinase	0.2137	1	1
Brugia malayi	STAT protein, DNA binding domain containing protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0858	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus granulosus	NCK adaptor protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus granulosus	N chimaerin	0.1279	0.3292	0.3292
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.2137	1	1
Brugia malayi	Protein kinase domain containing protein	0.2137	1	1
Brugia malayi	SH2 domain containing protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	protein tyrosine kinase, putative	0.0858	0	0.5
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.1279	0.3292	0.3292
Brugia malayi	Variant SH3 domain containing protein	0.1279	0.3292	0.3292
Loa Loa (eye worm)	SH2 domain-containing protein	0.1279	0.3292	0.3292
Echinococcus granulosus	tyrosine protein kinase Lyn	0.2137	1	1
Loa Loa (eye worm)	SH2 domain-containing protein	0.1279	0.3292	0.3292
Echinococcus granulosus	SH2 domain containing protein 7	0.1279	0.3292	0.3292
Trichomonas vaginalis	conserved hypothetical protein	0.0858	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.1279	0.3292	0.3292
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.0858	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.2137	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0858	0	0.5
Giardia lamblia	Kinase	0.0858	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0858	0	0.5
Giardia lamblia	Protein 21.1	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Brugia malayi	Sex muscle abnormal protein 5	0.1279	0.3292	0.3292
Echinococcus multilocularis	N chimaerin	0.1279	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Schistosoma mansoni	tyrosine kinase	0.2137	1	1
Echinococcus granulosus	growth factor receptor bound protein 2	0.1279	0.3292	0.3292
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0858	0	0.5
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus multilocularis	SHC transforming protein 3	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Schistosoma mansoni	tyrosine kinase	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Schistosoma mansoni	tyrosine kinase	0.2137	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.2137	1	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1279	0.3292	0.3292
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1279	0.3292	0.3292
Trichomonas vaginalis	conserved hypothetical protein	0.0858	0	0.5
Trypanosoma cruzi	protein kinase, putative	0.0858	0	0.5
Echinococcus granulosus	SHC transforming protein 3	0.1279	0.3292	0.3292
Brugia malayi	SH2 domain containing protein	0.1279	0.3292	0.3292
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.2137	1	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.2137	1	1
Plasmodium falciparum	protein kinase, putative	0.0858	0	0.5
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.1279	0.3292	0.3292
Loa Loa (eye worm)	TK/FER protein kinase	0.2137	1	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.2137	1	1
Echinococcus multilocularis	SH2 motif	0.1279	0.3292	0.3292
Trichomonas vaginalis	conserved hypothetical protein	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.1279	0.3292	0.3292
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.1279	0.3292	0.3292
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Brugia malayi	RhoGAP domain containing protein	0.1279	0.3292	0.3292
Trypanosoma brucei	protein kinase, putative	0.0858	0	0.5
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.1279	0.3292	0.3292
Trypanosoma brucei	Pseudokinase, putative	0.0858	0	0.5
Echinococcus granulosus	tensin	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.2137	1	1
Echinococcus granulosus	hypothetical protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	AGC family protein kinase	0.0858	0	0.5
Brugia malayi	tRNA modification GTPase TrmE family protein	0.1279	0.3292	0.3292
Echinococcus granulosus	SH2 domain containing adapter protein F	0.1279	0.3292	0.3292
Brugia malayi	cytokine inducible SH2-containing protein 5	0.1279	0.3292	0.3292
Loa Loa (eye worm)	SRC-1	0.2137	1	1
Onchocerca volvulus		0.2137	1	1
Schistosoma mansoni	growth factor receptor-bound protein	0.1279	0.3292	0.3292
Brugia malayi	SH2 domain containing protein	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Brugia malayi	hypothetical protein	0.1279	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Schistosoma mansoni	tensin	0.1279	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0858	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.2137	1	1
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.1279	0.3292	0.3292
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.2137	1	1
Brugia malayi	SRC-1	0.2137	1	1
Schistosoma mansoni	vav2	0.1279	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.2137	1	1
Loa Loa (eye worm)	hypothetical protein	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus granulosus	tyrosine protein kinase Srms	0.2137	1	1
Echinococcus granulosus	suppressor of cytokine signaling 6	0.1279	0.3292	0.3292
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Echinococcus multilocularis	tensin	0.1279	0.3292	0.3292
Loa Loa (eye worm)	TK protein kinase	0.2137	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.2137	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Schistosoma mansoni	hypothetical protein	0.1279	0.3292	0.3292
Toxoplasma gondii	STE kinase	0.0858	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0858	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.2137	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 78.6 nM	Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for 2 mins by Ellman's method	ChEMBL.	23501115
IC50 (binding)	= 27600 nM	Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for 2 mins by Ellman's method	ChEMBL.	23501115
Imax (binding)	= 19.9 %	Inhibition of amyloid beta(1 to 42) (unknown origin) self-aggregation at 25 uM after 48 hrs by ThT fluorescence assay relative to control	ChEMBL.	23501115
Imax (binding)	= 76.7 %	Inhibition of acetylcholinesterase (unknown origin)-induced amyloid beta(1 to 42) aggregation at 25 uM after 48 hrs by ThT fluorescence assay relative to control	ChEMBL.	23501115
Inhibition (binding)	= 20 %	Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate up to 100 uM incubated for 15 mins followed by substrate addition measured for 2 mins by Ellman's method relative to control	ChEMBL.	23501115

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: CHEMBL2375929

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1763439