TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 473.56 | Formula: C29H31NO5
H donors: 2 H acceptors: 3 LogP: 5.95 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CN(Cc1ccccc1)CCCCCCOc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O
InChi: 1S/C29H31NO5/c1-30(19-21-9-5-4-6-10-21)15-7-2-3-8-16-34-24-17-26(32)28-27(18-24)35-20-25(29(28)33)22-11-13-23(31)14-12-22/h4-6,9-14,17-18,20,31-32H,2-3,7-8,15-16,19H2,1H3
InChiKey: UHEFUZGXAMQXQB-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
Rattus norvegicus	Acetylcholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	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
Brugia malayi	Carboxylesterase family protein	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
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
Schistosoma japonicum	Acetylcholinesterase 1 precursor, 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
Loa Loa (eye worm)	hypothetical 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 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
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	570 aa	25.4 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	614 aa	564 aa	29.8 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	574 aa	24.0 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	614 aa	496 aa	24.0 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	507 aa	26.4 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	583 aa	30.7 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	614 aa	547 aa	32.5 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	632 aa	25.6 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	614 aa	642 aa	34.1 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	614 aa	642 aa	34.0 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	581 aa	27.0 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	573 aa	30.5 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	614 aa	531 aa	39.7 %
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	614 aa	577 aa	40.7 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	614 aa	602 aa	24.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0047	0.0627	0.8824
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Brugia malayi	RNA, U transporter 1	0.0069	0.1019	0.2472
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0056	0.0128
Echinococcus multilocularis	musashi	0.0023	0.0206	0.0206
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0016	0.0086	0.0639
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0043	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0536	0.1231
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0011	0.0001	0.0001
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0014	0.0056	0.0056
Loa Loa (eye worm)	SH2 domain-containing protein	0.0011	0.0001	0.0003
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0246	0.4118	0.4117
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Brugia malayi	Carboxylesterase family protein	0.0041	0.0536	0.1299
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0056	0.0132
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0056	0.0132
Schistosoma mansoni	microtubule-associated protein tau	0.0581	1	1
Leishmania major	cathepsin L-like protease	0.0051	0.0705	1
Echinococcus granulosus	lamin dm0	0.0023	0.0206	0.0206
Schistosoma mansoni	tyrosine kinase	0.0014	0.0056	0.0054
Echinococcus granulosus	carboxylesterase 5A	0.0246	0.4118	0.4118
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0013	0.0043	0.0099
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0024	0.0228	0.0226
Loa Loa (eye worm)	carboxylesterase	0.0246	0.4118	0.9457
Onchocerca volvulus		0.0041	0.0536	0.1704
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0043	0.0099
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0043	0.2765
Onchocerca volvulus		0.0173	0.2853	0.9088
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0011	0.0001	0.0001
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0041	0.0536	0.0535
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0014	0.0056	0.0056
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0011	0.0001	0.0003
Schistosoma mansoni	P2X receptor subunit	0.0227	0.3784	0.3783
Echinococcus granulosus	growth factor receptor bound protein 2	0.0011	0.0001	0.0001
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0014	0.0056	0.0056
Onchocerca volvulus		0.0013	0.0043	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0014	0.0056	0.0056
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0014	0.0056	0.0056
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.002	0.0153	0.0355
Echinococcus granulosus	c src tyrosine kinase	0.0014	0.0056	0.0056
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0056	0.0128
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0011	0.0001	0.0001
Echinococcus granulosus	snurportin 1	0.0259	0.4354	0.4354
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0011	0.0001	0.0001
Echinococcus multilocularis	para nitrobenzyl esterase	0.0041	0.0536	0.0536
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0011	0.0001	0.0003
Treponema pallidum	4'-phosphopantetheinyl transferase	0.002	0.0153	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.002	0.0153	0.0355
Echinococcus multilocularis	cysteine protease	0.0013	0.0043	0.0043
Toxoplasma gondii	exonuclease III APE	0.0016	0.0086	0.2221
Brugia malayi	Intermediate filament tail domain containing protein	0.0023	0.0206	0.0498
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0018	0.0121	0.1178
Onchocerca volvulus	Cathepsin L homolog	0.0013	0.0043	0.0134
Echinococcus multilocularis	cathepsin L cysteine protease	0.0013	0.0043	0.0043
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0014	0.0056	0.0056
Loa Loa (eye worm)	SRC-1	0.0014	0.0056	0.0128
Loa Loa (eye worm)	carboxylesterase	0.0041	0.0536	0.1231
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0041	0.0536	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0011	0.0001	0.0001
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0011	0.0001	0.0001
Onchocerca volvulus		0.007	0.1036	0.3297
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0041	0.0536	0.0535
Brugia malayi	SH2 domain containing protein	0.0014	0.0056	0.0132
Echinococcus multilocularis	L aminoadipate semialdehyde	0.007	0.1036	0.1036
Echinococcus multilocularis	snurportin 1	0.0259	0.4354	0.4354
Echinococcus granulosus	tyrosine kinase	0.0014	0.0056	0.0056
Brugia malayi	Papain family cysteine protease containing protein	0.0013	0.0043	0.0102
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0024	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0536	0.1231
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0013	0.0043	0.0043
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Trichomonas vaginalis	ran, putative	0.0018	0.0121	0.0252
Leishmania major	cathepsin L-like protease	0.0051	0.0705	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0023	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0536	0.1231
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0014	0.0056	0.0056
Echinococcus multilocularis	NCK adaptor protein	0.0011	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0234	0.0537
Onchocerca volvulus		0.0041	0.0536	0.1704
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0014	0.0056	0.0056
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0043	0.0102
Echinococcus multilocularis	SHC transforming protein 3	0.0011	0.0001	0.0001
Schistosoma mansoni	gliotactin	0.0041	0.0536	0.0535
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0024	0.0228	0.0226
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0014	0.0056	0.0056
Trypanosoma cruzi	importin beta-1 subunit, putative	0.002	0.0153	0.166
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0014	0.0056	0.0056
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0014	0.0056	0.0056
Echinococcus granulosus	tensin	0.0011	0.0001	0.0001
Onchocerca volvulus		0.0014	0.0056	0.0173
Schistosoma mansoni	P2X receptor subunit	0.0227	0.3784	0.3783
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0011	0.0001	0.0001
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0016	0.0086	0.5549
Trichomonas vaginalis	ap endonuclease, putative	0.0016	0.0086	0.0137
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0011	0.0001	0.0001
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0014	0.0056	0.0056
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0041	0.0536	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Echinococcus multilocularis	p2X purinoceptor 4	0.0227	0.3784	0.3784
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0016	0.0086	0.2221
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0014	0.0056	0.0056
Echinococcus multilocularis	SH2 motif	0.0011	0.0001	0.0001
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0041	0.0536	0.1592
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0014	0.0056	0.0056
Trichomonas vaginalis	importin beta-1, putative	0.002	0.0153	0.0355
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0011	0.0001	0.0001
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0013	0.0043	0.0043
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0043	0.0102
Echinococcus multilocularis	cathepsin L cysteine protease	0.0013	0.0043	0.0043
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0018	0.0121	0.4095
Loa Loa (eye worm)	hypothetical protein	0.0246	0.4118	0.9457
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.007	0.1036	0.1035
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0043	0.0042
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0014	0.0056	0.0056
Entamoeba histolytica	hypothetical protein	0.002	0.0153	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0536	0.1231
Echinococcus multilocularis	SH2 motif	0.0011	0.0001	0.0001
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Onchocerca volvulus		0.0041	0.0536	0.1704
Echinococcus granulosus	N chimaerin	0.0011	0.0001	0.0001
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0043	0.0102
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0014	0.0056	0.0056
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0016	0.0086	0.0639
Loa Loa (eye worm)	hypothetical protein	0.007	0.1036	0.2379
Echinococcus multilocularis	carboxylesterase 5A	0.0246	0.4118	0.4118
Leishmania major	importin beta-1 subunit, putative	0.002	0.0153	0.166
Loa Loa (eye worm)	acetylcholinesterase 1	0.0246	0.4118	0.9457
Schistosoma mansoni	tyrosine kinase	0.048	0.8241	0.8241
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0014	0.0056	0.0056
Brugia malayi	Pre-SET motif family protein	0.0024	0.0228	0.055
Schistosoma mansoni	lamin	0.0023	0.0206	0.0205
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0056	0.0128
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Schistosoma mansoni	ap endonuclease	0.0016	0.0086	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0199	0.0457
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0024	0.0228	0.0228
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0011	0.0001	0.0001
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0011	0.0001	0.0001
Brugia malayi	hypothetical protein	0.0014	0.0056	0.0132
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0011	0.0001	0.0001
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0056	0.0128
Trypanosoma cruzi	cysteine peptidase, putative	0.0051	0.0705	1
Loa Loa (eye worm)	SH2 domain-containing protein	0.0011	0.0001	0.0003
Onchocerca volvulus		0.0014	0.0056	0.0173
Echinococcus multilocularis	lamin dm0	0.0023	0.0206	0.0206
Schistosoma mansoni	intermediate filament proteins	0.0023	0.0206	0.0205
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0056	0.0132
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0041	0.0536	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0013	0.0043	0.0043
Echinococcus multilocularis	SH2 motif	0.0011	0.0001	0.0001
Brugia malayi	Carboxylesterase family protein	0.0041	0.0536	0.1299
Brugia malayi	cytoplasmic intermediate filament protein	0.0012	0.0021	0.0048
Echinococcus granulosus	neuroligin	0.0041	0.0536	0.0536
Onchocerca volvulus		0.0013	0.0043	0.0134
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0011	0.0001	0.0003
Echinococcus granulosus	SH2 domain containing protein 7	0.0011	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Trypanosoma brucei	importin beta-1 subunit, putative	0.0024	0.0234	0.2391
Loa Loa (eye worm)	TK/ABL protein kinase	0.0014	0.0056	0.0128
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0024	0.0228	0.9681
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0011	0.0001	0.0001
Echinococcus granulosus	SH2 motif	0.0011	0.0001	0.0001
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0014	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0173	0.2853	0.6552
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0228	0.0523
Loa Loa (eye worm)	fibroinase	0.0013	0.0043	0.0099
Echinococcus multilocularis	SH2 domain containing protein 7	0.0011	0.0001	0.0001
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0014	0.0056	0.0056
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0167	0.2735	0.628
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0018	0.0121	0.4095
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.002	0.0153	0.5772
Echinococcus multilocularis	tensin	0.0011	0.0001	0.0001
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0014	0.0056	0.0056
Onchocerca volvulus		0.0041	0.0536	0.1704
Echinococcus granulosus	acetylcholinesterase	0.0246	0.4118	0.4118
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0018	0.0121	0.0291
Echinococcus granulosus	lamin	0.0023	0.0206	0.0206
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0011	0.0001	0.0003
Onchocerca volvulus		0.0023	0.0206	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Onchocerca volvulus		0.0014	0.0056	0.0173
Loa Loa (eye worm)	ctsf protein	0.0013	0.0043	0.0099
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0041	0.0536	0.0536
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.002	0.0153	1
Schistosoma mansoni	tyrosine kinase	0.0014	0.0056	0.0054
Schistosoma mansoni	hypothetical protein	0.0259	0.4354	0.4353
Brugia malayi	Carboxylesterase family protein	0.0246	0.4118	1
Onchocerca volvulus		0.0014	0.0056	0.0173
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.002	0.0153	0.1501
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Echinococcus multilocularis	cysteine protease	0.0013	0.0043	0.0043
Leishmania major	phosphopantetheinyl transferase-like protein	0.002	0.0153	0.1661
Loa Loa (eye worm)	STAT protein	0.0011	0.0001	0.0003
Schistosoma mansoni	tyrosine kinase	0.0014	0.0056	0.0054
Entamoeba histolytica	hypothetical protein	0.002	0.0153	0.9997
Trichomonas vaginalis	spcc417.12 protein, putative	0.0041	0.0536	0.1592
Echinococcus granulosus	tyrosine protein kinase Blk	0.0014	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0018	0.0121	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0259	0.4354	1
Echinococcus granulosus	BC026374 protein S09 family	0.0041	0.0536	0.0536
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Brugia malayi	protein-tyrosine kinase	0.0014	0.0056	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Echinococcus multilocularis	p2X purinoceptor 4	0.0227	0.3784	0.3784
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0014	0.0056	0.0054
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0011	0.0001	0.0001
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.002	0.0153	0.5772
Trypanosoma brucei	importin beta-1 subunit, putative	0.0024	0.0234	0.2391
Echinococcus granulosus	L aminoadipate semialdehyde	0.007	0.1036	0.1036
Echinococcus granulosus	NCK adaptor protein	0.0011	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0056	0.0128
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0014	0.0056	0.0056
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Brugia malayi	SRC-1	0.0014	0.0056	0.0132
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0011	0.0001	0.0001
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0043	0.0102
Echinococcus multilocularis	N chimaerin	0.0011	0.0001	0.0001
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Echinococcus multilocularis	signal transduction protein lnk realted	0.0011	0.0001	0.0001
Echinococcus granulosus	expressed conserved protein	0.0011	0.0001	0.0001
Schistosoma mansoni	P2X receptor subunit	0.0227	0.3784	0.3783
Plasmodium vivax	SET domain protein, putative	0.0024	0.0228	0.9681
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0014	0.0056	0.0056
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0014	0.0056	0.0056
Brugia malayi	hypothetical protein	0.0041	0.0536	0.1299
Leishmania major	cathepsin L-like protease	0.0051	0.0705	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.007	0.1036	0.2513
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Schistosoma mansoni	acetylcholinesterase	0.0041	0.0536	0.0535
Echinococcus granulosus	tyrosine kinase	0.0014	0.0056	0.0056
Echinococcus granulosus	tyrosine protein kinase shark	0.048	0.8241	0.8241
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0056	0.0132
Echinococcus multilocularis	neuroligin	0.0041	0.0536	0.0536
Echinococcus granulosus	cathepsin l1	0.0013	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Brugia malayi	Tyrosine-protein kinase abl-1	0.0014	0.0056	0.0132
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0041	0.0536	0.0536
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0013	0.0043	0.0099
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0056	0.0132
Trichomonas vaginalis	set domain proteins, putative	0.019	0.3139	1
Brugia malayi	Pre-SET motif family protein	0.0167	0.2735	0.664
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0014	0.0056	0.0056
Schistosoma mansoni	lamin	0.0023	0.0206	0.0205
Loa Loa (eye worm)	SH2 domain-containing protein	0.0011	0.0001	0.0003
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0014	0.0056	0.3576
Schistosoma mansoni	ap endonuclease	0.0016	0.0086	0.0084
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.002	0.0153	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0041	0.0536	0.0535
Onchocerca volvulus		0.0041	0.0536	0.1704
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0011	0.0001	0.0003
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0023	0.0206	0.0473
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0041	0.0536	0.0536
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0018	0.0121	0.4095
Trypanosoma cruzi	cruzipain precursor, putative	0.0051	0.0705	1
Echinococcus granulosus	signal transduction protein lnk realted	0.0011	0.0001	0.0001
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0018	0.0121	0.0576
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.002	0.0153	0.1501
Onchocerca volvulus		0.0013	0.0043	0.0134
Onchocerca volvulus		0.0014	0.0056	0.0173
Onchocerca volvulus	Cathepsin L homolog	0.0013	0.0043	0.0134
Mycobacterium ulcerans	carboxylesterase, LipT	0.0041	0.0536	1
Plasmodium falciparum	importin beta, putative	0.0024	0.0234	1
Brugia malayi	Carboxylesterase family protein	0.0041	0.0536	0.1299
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0011	0.0001	0.0001
Schistosoma mansoni	tyrosine kinase	0.0014	0.0056	0.0054
Trypanosoma brucei	hypothetical protein, conserved	0.002	0.0153	0.1091
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.002	0.0153	0.1501
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0016	0.0086	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0536	0.1231
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.002	0.0153	0.5772
Brugia malayi	Carboxylesterase family protein	0.0246	0.4118	1
Echinococcus granulosus	p2X purinoceptor 4	0.0227	0.3784	0.3784
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0014	0.0056	0.0056
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.002	0.0153	0.5772
Loa Loa (eye worm)	hypothetical protein	0.0246	0.4118	0.9457
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0206	0.0473
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0016	0.0086	0.0086
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0041	0.0536	0.0535
Echinococcus multilocularis	c src tyrosine kinase	0.0014	0.0056	0.0056
Schistosoma mansoni	tyrosine kinase	0.0469	0.8048	0.8047
Echinococcus multilocularis	tyrosine kinase	0.0014	0.0056	0.0056
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.0705	1
Echinococcus multilocularis	acetylcholinesterase	0.0246	0.4118	0.4118
Echinococcus multilocularis		0.0011	0.0001	0.0001
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0011	0.0001	0.0001
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0016	0.0086	0.0639
Schistosoma mansoni	ran	0.0018	0.0121	0.012
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0043	0.0102
Mycobacterium leprae	conserved hypothetical protein	0.002	0.0153	0.5
Schistosoma mansoni	ran	0.0018	0.0121	0.012
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0016	0.0086	0.0086
Entamoeba histolytica	Ran family GTPase	0.0018	0.0121	0.7898
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0536	0.1231
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0018	0.0121	0.0278
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0018	0.0121	0.0121
Loa Loa (eye worm)	intermediate filament protein	0.0023	0.0206	0.0473
Echinococcus multilocularis	tyrosine protein kinase shark	0.048	0.8241	0.8241
Echinococcus granulosus	SHC transforming protein 3	0.0011	0.0001	0.0001
Brugia malayi	Carboxylesterase family protein	0.0041	0.0536	0.1299
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0041	0.0536	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0011	0.0001	0.0001
Onchocerca volvulus		0.0013	0.0043	0.0134
Echinococcus granulosus	p2X purinoceptor 4	0.0227	0.3784	0.3784
Schistosoma mansoni	importin beta-1	0.0024	0.0234	0.0232
Brugia malayi	hypothetical protein	0.0173	0.2853	0.6927
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0014	0.0056	0.0056
Brugia malayi	Importin beta-1 subunit	0.0024	0.0234	0.0565
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0056	0.0128
Echinococcus multilocularis	p2X purinoceptor 4	0.0227	0.3784	0.3784
Entamoeba histolytica	cysteine protease, putative	0.0013	0.0043	0.2765
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0011	0.0001	0.0001
Toxoplasma gondii	HEAT repeat-containing protein	0.0024	0.0234	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0024	0.0228	0.0226
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0013	0.0043	0.0043
Plasmodium vivax	importin-beta 2, putative	0.0024	0.0234	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0536	0.1231
Echinococcus granulosus	para nitrobenzyl esterase	0.0041	0.0536	0.0536
Trypanosoma cruzi	cysteine peptidase, putative	0.0051	0.0705	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0056	0.0128
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0043	0.2765
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0018	0.0121	0.1178
Onchocerca volvulus		0.0024	0.0228	0.0721
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0014	0.0056	0.0056
Trypanosoma cruzi	cysteine peptidase, putative	0.0051	0.0705	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0011	0.0001	0.0003
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0043	0.0042
Loa Loa (eye worm)	carboxylesterase	0.0041	0.0536	0.1231
Brugia malayi	intermediate filament protein	0.0023	0.0206	0.0498
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0018	0.0121	0.0121
Echinococcus granulosus	p2X purinoceptor 4	0.0227	0.3784	0.3784
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0056	0.0128
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0016	0.0086	0.2221
Onchocerca volvulus		0.0013	0.0043	0.0134
Loa Loa (eye worm)	TK protein kinase	0.0014	0.0056	0.0128
Brugia malayi	SH2 domain containing protein	0.0014	0.0056	0.0132
Leishmania major	GTP-binding protein, putative	0.0018	0.0121	0.1178
Onchocerca volvulus		0.019	0.3139	1
Echinococcus granulosus	importin subunit beta 1	0.0024	0.0234	0.0234
Echinococcus multilocularis	lamin	0.0023	0.0206	0.0206
Echinococcus granulosus	tyrosine protein kinase Srms	0.0014	0.0056	0.0056
Onchocerca volvulus		0.0013	0.0043	0.0134
Trichomonas vaginalis	ap endonuclease, putative	0.0016	0.0086	0.0137
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0012	0.0021	0.0049
Trypanosoma cruzi	major cysteine proteinase, putative	0.004	0.0513	0.7098
Onchocerca volvulus	Cathepsin F homolog	0.0013	0.0043	0.0134
Echinococcus granulosus	intermediate filament protein	0.0023	0.0206	0.0206
Echinococcus multilocularis	acetylcholinesterase	0.0246	0.4118	0.4118
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0056	0.0128
Echinococcus multilocularis	tensin	0.0011	0.0001	0.0001
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0056	0.0128
Echinococcus granulosus	histone lysine methyltransferase setb	0.0024	0.0228	0.0228
Echinococcus multilocularis	microtubule associated protein 2	0.0581	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0014	0.0056	0.0056
Echinococcus granulosus	SH2 motif	0.0011	0.0001	0.0001
Onchocerca volvulus		0.0014	0.0056	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0003
Loa Loa (eye worm)	cysteine protease	0.0013	0.0043	0.0099
Brugia malayi	exodeoxyribonuclease III family protein	0.0016	0.0086	0.0205
Echinococcus granulosus	acetylcholinesterase	0.0246	0.4118	0.4118
Echinococcus multilocularis	importin subunit beta 1	0.0024	0.0234	0.0234
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0024	0.0228	0.0226
Onchocerca volvulus		0.0023	0.0206	0.0653
Schistosoma mansoni	P2X receptor subunit	0.0227	0.3784	0.3783
Echinococcus granulosus	hypothetical protein	0.0011	0.0001	0.0001
Onchocerca volvulus		0.0013	0.0043	0.0134
Schistosoma mansoni	tyrosine kinase	0.0014	0.0056	0.0054
Loa Loa (eye worm)	TK/FER protein kinase	0.0014	0.0056	0.0128

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)		Inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method	ChEMBL.	24589487
IC50 (binding)		Inhibition of electric eel AchE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method	ChEMBL.	24589487
IC50 (binding)	= 4.24 uM	Inhibition of rat cortex homogenate AchE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method	ChEMBL.	24589487
Inhibition (binding)	< 5 %	Inhibition of rat serum BuChE using butyrylthiocholine iodide as substrate at 50 uM after 15 mins by Ellman's method	ChEMBL.	24589487

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: CHEMBL3127005

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1828151