TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 379.449 | Formula: C23H25NO4
H donors: 1 H acceptors: 2 LogP: 3.42 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC1CCN(CC1)CCOc1ccc2c(c1C)oc(cc2=O)c1ccccc1
InChi: 1S/C23H25NO4/c1-16-21(27-14-13-24-11-9-18(25)10-12-24)8-7-19-20(26)15-22(28-23(16)19)17-5-3-2-4-6-17/h2-8,15,18,25H,9-14H2,1H3
InChiKey: RHIDSCLGNKDOQE-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
Equus caballus	Cholinesterase	Starlite/ChEMBL	References
Electrophorus electricus	Acetylcholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Carboxylesterase family protein	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	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
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	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
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
Echinococcus granulosus	acetylcholinesterase	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)	acetylcholinesterase 1	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
Loa Loa (eye worm)	hypothetical protein	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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	633 aa	622 aa	24.9 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Cholinesterase	574 aa	554 aa	36.1 %
Schistosoma mansoni	gliotactin	Cholinesterase	574 aa	587 aa	27.9 %
Onchocerca volvulus		Cholinesterase	574 aa	578 aa	25.3 %
Brugia malayi	Carboxylesterase family protein	Cholinesterase	574 aa	538 aa	31.4 %
Onchocerca volvulus	Putative nuclear protein	Cholinesterase	574 aa	572 aa	40.9 %
Echinococcus granulosus	neuroligin	Cholinesterase	574 aa	492 aa	24.4 %
Schistosoma japonicum	ko:K01050 cholinesterase [EC3.1.1.8], putative	Cholinesterase	574 aa	577 aa	36.9 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	576 aa	23.4 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	633 aa	690 aa	31.7 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	633 aa	690 aa	32.3 %
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 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	620 aa	28.4 %
Onchocerca volvulus		Cholinesterase	574 aa	551 aa	29.9 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	633 aa	576 aa	28.8 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	597 aa	25.1 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	633 aa	549 aa	30.4 %
Onchocerca volvulus	Galectin homolog	Cholinesterase	574 aa	531 aa	39.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0028	0.0988	0.1305
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.1667	0.22
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0011	0.0186	0.0186
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.1667	0.22
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0042	0.1667	0.22
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0988	0.0988
Schistosoma mansoni	adapter molecule crk	0.0008	0.0027	0.0027
Brugia malayi	Variant SH3 domain containing protein	0.0008	0.0027	0.0027
Brugia malayi	Tyrosine-protein kinase abl-1	0.0011	0.0186	0.0186
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.7575	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0019	0.0567	0.0749
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Schistosoma mansoni	nck2/grb4	0.0008	0.0027	0.0027
Brugia malayi	Carboxylesterase family protein	0.0164	0.7575	0.7575
Onchocerca volvulus		0.0028	0.0988	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0028	0.0988	0.1305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0226	0.1882
Brugia malayi	Sex muscle abnormal protein 5	0.0008	0.0027	0.0027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0167	0.1251
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0028	0.0988	0.1305
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0038	0.148	0.1954
Echinococcus granulosus	tyrosine protein kinase HCK	0.0034	0.1289	0.1702
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0988	0.0988
Echinococcus granulosus	BC026374 protein S09 family	0.0028	0.0988	0.1305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.091	0.9168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0167	0.1251
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0042	0.1667	0.22
Brugia malayi	Carboxylesterase family protein	0.0164	0.7575	0.7575
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0008	0.0027	0.0027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0167	0.1251
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0988	0.0988
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0026	0.091	0.091
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0988	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0734	0.0734
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0008	0.005	0.0066
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.1667	0.22
Brugia malayi	Carboxylesterase family protein	0.0028	0.0988	0.0988
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0019	0.0567	0.0749
Schistosoma mansoni	tyrosine kinase	0.0042	0.1667	0.1667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0988	0.0988
Echinococcus multilocularis	neuroligin	0.0028	0.0988	0.1305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0038	0.148	0.1954
Schistosoma mansoni	gliotactin	0.0028	0.0988	0.0988
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0034	0.1289	0.1702
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0019	0.0567	0.0567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Loa Loa (eye worm)	acetylcholinesterase 1	0.0164	0.7575	0.7575
Brugia malayi	FAT domain containing protein	0.0008	0.005	0.005
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0019	0.0567	0.4987
Entamoeba histolytica	protein kinase, putative	0.0034	0.1289	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0019	0.0567	0.4402
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0988	0.0988
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Loa Loa (eye worm)	carboxylesterase	0.0164	0.7575	0.7575
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0026	0.091	0.091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0167	0.1251
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0167	0.1251
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0019	0.0567	0.5386
Echinococcus granulosus	tyrosine kinase	0.0038	0.148	0.1954
Brugia malayi	protein-tyrosine kinase	0.0038	0.148	0.148
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0019	0.0567	0.4402
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0019	0.0567	0.0567
Echinococcus multilocularis	serine protein kinase ATM	0.0026	0.091	0.1202
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0019	0.0567	0.0749
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0038	0.148	0.1954
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0019	0.0569	1
Echinococcus granulosus	acetylcholinesterase	0.0164	0.7575	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0011	0.0186	0.0246
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0042	0.1667	0.22
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Loa Loa (eye worm)	hypothetical protein	0.0008	0.005	0.005
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0011	0.0167	0.0221
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0988	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0988	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0167	0.0167
Brugia malayi	Carboxylesterase family protein	0.0028	0.0988	0.0988
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0022	0.0734	0.7623
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0042	0.1667	0.22
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0028	0.0988	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Schistosoma mansoni	tyrosine kinase	0.0042	0.1667	0.1667
Loa Loa (eye worm)	TK protein kinase	0.0034	0.1289	0.1289
Loa Loa (eye worm)	TK protein kinase	0.0038	0.148	0.148
Echinococcus granulosus	neuroligin	0.0028	0.0988	0.1305
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0164	0.7575	0.7575
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0019	0.0567	0.4987
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.1667	0.22
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0167	0.1251
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0019	0.0567	0.5386
Brugia malayi	Carboxylesterase family protein	0.0028	0.0988	0.0988
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.1667	0.22
Schistosoma mansoni	BC026374 protein (S09 family)	0.0028	0.0988	0.0988
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0019	0.0567	0.4987
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0988	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0027	0.0027
Onchocerca volvulus		0.0028	0.0988	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0028	0.0988	0.5
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0042	0.1667	0.22
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0226	0.1882
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0011	0.0167	0.0221
Giardia lamblia	GTOR	0.0019	0.0567	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0028	0.0988	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0008	0.0027	0.0027
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0042	0.1667	0.22
Echinococcus multilocularis	carboxylesterase 5A	0.0164	0.7575	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0988	0.0988
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0035	0.1321	0.1744
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0019	0.0567	0.0749
Schistosoma mansoni	growth factor receptor-bound protein	0.0008	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0226	0.0226
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.1667	0.22
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0026	0.091	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0028	0.0988	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0035	0.1321	0.1744
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0019	0.0569	0.541
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0019	0.0567	0.4987
Echinococcus granulosus	carboxylesterase 5A	0.0164	0.7575	1
Brugia malayi	hypothetical protein	0.0028	0.0988	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0988	0.0988
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0019	0.0567	0.4987
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0011	0.0186	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0164	0.7575	0.7575
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0011	0.0186	0.0246
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0008	0.005	0.0066
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0042	0.1667	0.22
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0026	0.091	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0011	0.0167	0.0167
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0042	0.1667	0.22
Echinococcus multilocularis	para nitrobenzyl esterase	0.0028	0.0988	0.1305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Schistosoma mansoni	acetylcholinesterase	0.0028	0.0988	0.0988
Schistosoma mansoni	tyrosine kinase	0.0011	0.0186	0.0186
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Schistosoma mansoni	tyrosine kinase	0.0011	0.0186	0.0186
Toxoplasma gondii	FATC domain-containing protein	0.0026	0.091	1
Brugia malayi	Variant SH3 domain containing protein	0.0008	0.0027	0.0027
Trypanosoma cruzi	target of rapamycin kinase 3	0.0019	0.0567	0.5386
Schistosoma mansoni	serine/threonine protein kinase	0.0214	1	1
Onchocerca volvulus		0.0028	0.0988	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0019	0.0567	0.4987
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0011	0.0167	0.1297
Chlamydia trachomatis	serine/threonine protein kinase	0.0214	1	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0019	0.0567	0.5386
Echinococcus granulosus	serine protein kinase ATM	0.0026	0.091	0.1202
Brugia malayi	SRC-1	0.0042	0.1667	0.1667
Loa Loa (eye worm)	phosphatidylinositol 3	0.0019	0.0567	0.0567
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0988	0.0988
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Echinococcus granulosus	growth factor receptor bound protein 2	0.0008	0.0027	0.0035
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0019	0.0567	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0988	0.0988
Echinococcus multilocularis	c src tyrosine kinase	0.0011	0.0186	0.0246
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0028	0.0988	0.1305
Schistosoma mansoni	growth factor receptor-bound protein	0.0008	0.0027	0.0027
Loa Loa (eye worm)	phosphatidylinositol 3	0.0019	0.0567	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0164	0.7575	0.7575
Echinococcus granulosus	acetylcholinesterase	0.0164	0.7575	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.0038	0.148	0.1954
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0988	0.0988
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0042	0.1667	0.22
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0042	0.169	0.2231
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0008	0.0027	0.0035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.7575	1
Echinococcus multilocularis	NCK adaptor protein	0.0008	0.0027	0.0035
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0038	0.148	0.1954
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Echinococcus granulosus	NCK adaptor protein	0.0008	0.0027	0.0035
Schistosoma mansoni	hypothetical protein	0.0008	0.005	0.005
Entamoeba histolytica	protein kinase rad3, putative	0.0011	0.0167	0.1297
Onchocerca volvulus		0.0028	0.0988	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Echinococcus granulosus	c src tyrosine kinase	0.0011	0.0186	0.0246
Entamoeba histolytica	hypothetical protein	0.0026	0.091	0.7062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0167	0.1251
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0019	0.0567	0.5386
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0019	0.0567	0.0567
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0042	0.1667	0.22
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Loa Loa (eye worm)	SRC-1	0.0042	0.1667	0.1667
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0011	0.0167	0.0167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0028	0.0988	0.0988
Onchocerca volvulus		0.0028	0.0988	1
Loa Loa (eye worm)	NEK/NEK6 protein kinase	0.0214	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0567	0.5515
Brugia malayi	Carboxylesterase family protein	0.0028	0.0988	0.0988
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0008	0.0027	0.0027

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.83 uM	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180 secs by Ellman's method	ChEMBL.	23511019
IC50 (binding)	= 3.21 uM	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180 secs by Ellman's method	ChEMBL.	23511019
Inhibition (binding)	= 26.89 %	Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation at 20 uM by thioflavin T based fluorometric assay	ChEMBL.	23511019

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: CHEMBL2393058

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1779967