TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 489.48 | Formula: C26H34Cl2N4O
H donors: 2 H acceptors: 3 LogP: 5.88 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCc1c2cccc1.Cl.Cl.O
InChi: 1S/C26H30N4.2ClH.H2O/c1-2-6-21(7-3-1)19-30-16-13-20(14-17-30)12-15-27-25-18-23-11-10-22-8-4-5-9-24(22)26(23)29-28-25;;;/h1-9,18,20H,10-17,19H2,(H,27,28);2*1H;1H2
InChiKey: MPBJAGZLMDNYFJ-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
Homo sapiens	acetylcholinesterase (Yt blood group)	Starlite/ChEMBL	References
Homo sapiens	butyrylcholinesterase	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
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	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
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	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
Loa Loa (eye worm)	hypothetical 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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	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
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	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	633 aa	597 aa	25.1 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	633 aa	690 aa	32.3 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	633 aa	690 aa	31.7 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	620 aa	28.4 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	633 aa	622 aa	24.9 %
Brugia malayi	Carboxylesterase family protein	butyrylcholinesterase	602 aa	546 aa	30.2 %
Brugia malayi	Carboxylesterase family protein	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	517 aa	25.1 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	633 aa	549 aa	30.4 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	633 aa	507 aa	23.9 %
Onchocerca volvulus		Acetylcholinesterase	633 aa	648 aa	25.3 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	576 aa	23.4 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	633 aa	576 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	carboxylesterase	0.0041	0.0069	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0359	0.2017	0.2218
Onchocerca volvulus		0.0349	0.1954	0.1954
Brugia malayi	SET domain containing protein	0.0127	0.0591	0.065
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.0423	0.0667
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0076
Plasmodium falciparum	S-adenosylmethionine decarboxylase/ornithine decarboxylase	0.0207	0.1085	0.1711
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0077	0.0287	0.0677
Plasmodium falciparum	DNA (cytosine-5)-methyltransferase	0.0499	0.2874	0.4535
Trypanosoma cruzi	Histone methylation protein DOT1, putative	0.0082	0.0316	0.02
Schistosoma mansoni	hypothetical protein	0.0176	0.0894	0.211
Leishmania major	hypothetical protein, conserved	0.0082	0.0316	0.0484
Echinococcus granulosus	SET and MYND domain containing protein 3	0.0073	0.0264	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0644	0.3767	0.4143
Trypanosoma cruzi	histone-lysine N-methyltransferase, putative	0.0082	0.0316	0.02
Echinococcus granulosus	polybromo 1	0.004	0.0061	0.0096
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0133	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0934	0.5544	0.6097
Echinococcus granulosus	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Echinococcus granulosus	bromo adjacent y domain containing 1	0.004	0.0061	0.0096
Echinococcus granulosus	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Schistosoma mansoni	hypothetical protein	0.004	0.0061	0.0144
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0277
Trichomonas vaginalis	set domain proteins, putative	0.1661	1	1
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0077	0.0287	0.0635
Schistosoma mansoni	hypothetical protein	0.0176	0.0894	0.211
Echinococcus granulosus	histone lysine N methyltransferase H3 lysine 36	0.0118	0.0535	0.0844
Brugia malayi	Carboxylesterase family protein	0.0041	0.0069	0.0076
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0349
Echinococcus granulosus	metastasis associated protein 1 mta1	0.004	0.0061	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0225	0.1192	0.1311
Schistosoma mansoni	jumonji domain containing protein	0.0079	0.0298	0.0702
Echinococcus granulosus	peregrin	0.0133	0.0631	0.0995
Echinococcus granulosus	para nitrobenzyl esterase	0.0041	0.0069	0.0108
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0041	0.0069	0.0162
Echinococcus multilocularis	histone lysine n methyltransferase setb1	0.0035	0.003	0.0047
Schistosoma mansoni	uridine phosphorylase	0.0077	0.0287	0.0677
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0041	0.0069	0.0162
Mycobacterium tuberculosis	Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY)	0.0838	0.4953	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0277
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0163	0.0812	0.1281
Echinococcus granulosus	histone lysine methyltransferase setb	0.0225	0.1192	0.188
Brugia malayi	SET domain containing protein	0.0143	0.069	0.0759
Echinococcus multilocularis	histone h3 methyltransferase	0.0644	0.3767	0.5943
Echinococcus multilocularis	PWWP domain containing protein 2A	0.0103	0.0445	0.0702
Trypanosoma cruzi	hypothetical protein, conserved	0.0103	0.0445	0.0409
Brugia malayi	hypothetical protein	0.0062	0.0193	0.0213
Echinococcus granulosus	neuroligin	0.0041	0.0069	0.0108
Brugia malayi	Carboxylesterase family protein	0.0246	0.1321	0.1452
Echinococcus granulosus	acetylcholinesterase	0.0246	0.1321	0.2083
Brugia malayi	Pre-SET motif family protein	0.0198	0.1028	0.113
Loa Loa (eye worm)	hypothetical protein	0.004	0.0061	0.0067
Schistosoma mansoni	disco-interacting protein 2 (dip2)	0.0349	0.1954	0.4611
Trypanosoma cruzi	spermidine synthase, putative	0.1064	0.6339	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0501	0.0551
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0077	0.0287	0.5
Trypanosoma brucei	S-adenosylmethionine decarboxylase	0.0425	0.2423	0.3627
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0077	0.0287	0.0316
Trypanosoma cruzi	spermidine synthase, putative	0.1064	0.6339	1
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.004	0.0061	0.0144
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0277
Loa Loa (eye worm)	hypothetical protein	0.004	0.0061	0.0067
Trypanosoma cruzi	transcription elongation factor s-II, putative	0.0103	0.0445	0.0409
Mycobacterium tuberculosis	Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase)	0.0339	0.1895	0.3738
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.0287	0.0277
Brugia malayi	Histone-lysine N-methyltransferase, H3 lysine-79 specific	0.0644	0.3767	0.4143
Echinococcus granulosus	spermidine synthase	0.1064	0.6339	1
Schistosoma mansoni	hypothetical protein	0.0103	0.0445	0.1049
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0766	0.4515	0.7123
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0277
Trypanosoma cruzi	Histone-lysine N-methyltransferase, H3 lysine-76 specific	0.0082	0.0316	0.02
Brugia malayi	hypothetical protein	0.0359	0.2017	0.2218
Brugia malayi	jmjC domain containing protein	0.0099	0.0423	0.0465
Echinococcus granulosus	arginine glutamic acid dipeptide RE repeats	0.004	0.0061	0.0096
Brugia malayi	Pre-SET motif family protein	0.1513	0.9093	1
Plasmodium vivax	histone-lysine N-methyltransferase, putative	0.0088	0.0355	0.056
Schistosoma mansoni	suppressor of variegation 4-20-related	0.0143	0.069	0.1628
Echinococcus granulosus	carboxylesterase 5A	0.0246	0.1321	0.2083
Brugia malayi	Carboxylesterase family protein	0.0041	0.0069	0.0076
Trypanosoma cruzi	transcription elongation factor-like protein, putative	0.0103	0.0445	0.0409
Trypanosoma brucei	histone-lysine n-methyltransferase	0.0082	0.0316	0.02
Trypanosoma cruzi	Histone methylation protein DOT1, putative	0.0082	0.0316	0.02
Mycobacterium leprae	probable uridine phosphorylase	0.0077	0.0287	0.5
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0032	0.001	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0076
Echinococcus granulosus	histone h3 methyltransferase	0.0644	0.3767	0.5943
Echinococcus granulosus	histone lysine n methyltransferase suv420h1	0.0143	0.069	0.1089
Schistosoma mansoni	protein arginine n-methyltransferase	0.0151	0.0741	0.1749
Loa Loa (eye worm)	SET domain-containing protein	0.0143	0.069	0.0759
Onchocerca volvulus		0.0041	0.0069	0.0069
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0416	0.2367	0.3734
Onchocerca volvulus		0.0041	0.0069	0.0069
Onchocerca volvulus		0.0333	0.186	0.186
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0333	0.186	0.2045
Schistosoma mansoni	cpg binding protein	0.0333	0.186	0.4388
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.005	0.0078
Onchocerca volvulus		0.0041	0.0069	0.0069
Echinococcus multilocularis	protein arginine N methyltransferase 8	0.0032	0.001	0.0015
Echinococcus multilocularis	DNA methyltransferase 2, putative	0.0499	0.2874	0.4535
Brugia malayi	Carm1-pending protein	0.0151	0.0741	0.0815
Echinococcus granulosus	DNA methyltransferase 2, putative	0.0499	0.2874	0.4535
Trypanosoma brucei	uridine phosphorylase	0.0077	0.0287	0.0152
Plasmodium vivax	S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative	0.0207	0.1085	0.1711
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0077	0.0287	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0253	0.0278
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0041	0.0069	0.0108
Echinococcus granulosus	metastasis associated protein MTA1	0.004	0.0061	0.0096
Trypanosoma cruzi	S-adenosylmethionine decarboxylase proenzyme, putative	0.0425	0.2423	0.3627
Schistosoma mansoni	polybromo-1	0.004	0.0061	0.0144
Loa Loa (eye worm)	Carm1-pending protein	0.0151	0.0741	0.0815
Schistosoma mansoni	histone J3 methyltransferase	0.0644	0.3767	0.8889
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Trypanosoma cruzi	spermidine synthase, putative	0.1064	0.6339	1
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0077	0.0287	1
Onchocerca volvulus		0.0275	0.1499	0.1499
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.004	0.0061	0.0144
Echinococcus multilocularis	acetylcholinesterase	0.0246	0.1321	0.2083
Brugia malayi	SET domain containing protein	0.0057	0.0162	0.0178
Trypanosoma brucei	S-adenosylmethionine decarboxylase proenzyme, putative	0.0425	0.2423	0.3627
Brugia malayi	hypothetical protein	0.0359	0.2017	0.2218
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0071	0.0249	0.0552
Loa Loa (eye worm)	SET domain-containing protein	0.0307	0.17	0.1869
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0077	0.0287	0.0277
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0077	0.0287	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0445	0.0489
Brugia malayi	polybromodomain protein	0.004	0.0061	0.0067
Echinococcus multilocularis	carboxylesterase 5A	0.0246	0.1321	0.2083
Echinococcus granulosus	histone lysine N methyltransferase Ez	0.0307	0.17	0.2681
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1321	0.1452
Loa Loa (eye worm)	carboxylesterase	0.0041	0.0069	0.0076
Entamoeba histolytica	DNA (cytosine-5)-methyltransferase, putative	0.0499	0.2874	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0077	0.0287	0.0152
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0349
Echinococcus multilocularis	hepatoma derived growth factor protein	0.0103	0.0445	0.0702
Schistosoma mansoni	DNA (cytosine-5)-methyltransferase	0.0499	0.2874	0.6782
Echinococcus multilocularis	polybromo 1	0.004	0.0061	0.0096
Onchocerca volvulus		0.0359	0.2017	0.2017
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.0423	0.0667
Trypanosoma cruzi	hypothetical protein, conserved	0.0103	0.0445	0.0409
Onchocerca volvulus		0.0041	0.0069	0.0069
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0077	0.0287	1
Schistosoma mansoni	hypothetical protein	0.0103	0.0445	0.1049
Echinococcus multilocularis	cpg binding protein	0.0335	0.187	0.295
Toxoplasma gondii	hypothetical protein	0.0082	0.0316	0.07
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0246	0.1321	0.3116
Onchocerca volvulus		0.0041	0.0069	0.0069
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0077	0.0287	0.0447
Trypanosoma brucei	transcription elongation factor s-II, putative	0.0103	0.0445	0.0409
Trypanosoma cruzi	spermidine synthase, putative	0.1064	0.6339	1
Brugia malayi	Carboxylesterase family protein	0.0246	0.1321	0.1452
Trypanosoma brucei	Histone-lysine N-methyltransferase, H3 lysine-76 specific	0.0082	0.0316	0.02
Echinococcus multilocularis	histone lysine N methyltransferase, H3 lysine 36	0.0118	0.0535	0.0844
Onchocerca volvulus		0.0103	0.0445	0.0445
Echinococcus granulosus	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Trypanosoma cruzi	S-adenosylmethionine decarboxylase proenzyme, putative	0.0425	0.2423	0.3627
Onchocerca volvulus		0.0103	0.0445	0.0445
Schistosoma mansoni	hepatoma derived growth factor	0.0103	0.0445	0.1049
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0041	0.0069	0.0108
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.005	0.0055
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0077	0.0287	0.0287
Mycobacterium ulcerans	spermidine synthase	0.0838	0.4953	1
Echinococcus multilocularis	spermidine synthase	0.1064	0.6339	1
Brugia malayi	Carboxylesterase family protein	0.0041	0.0069	0.0076
Leishmania major	methylthioadenosine phosphorylase, putative	0.0416	0.2367	0.3725
Leishmania major	hypothetical protein, conserved	0.0082	0.0316	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1954	0.2149
Loa Loa (eye worm)	spermidine synthase	0.1064	0.6339	0.6972
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0416	0.2367	0.5585
Mycobacterium tuberculosis	Hypothetical protein	0.0077	0.0287	0.0447
Brugia malayi	hypothetical protein	0.0103	0.0445	0.0489
Brugia malayi	CXXC zinc finger family protein	0.0333	0.186	0.2045
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.005	0.0117
Schistosoma mansoni	uridine phosphorylase	0.0077	0.0287	0.0677
Plasmodium vivax	protein arginine N-methyltransferase 1, putative	0.0032	0.001	0.0015
Loa Loa (eye worm)	jmjC domain-containing protein	0.0063	0.0198	0.0218
Loa Loa (eye worm)	S-adenosylmethionine decarboxylase proenzyme	0.0425	0.2423	0.2664
Plasmodium vivax	SET domain protein, putative	0.0163	0.0812	0.1281
Leishmania major	nucleoside phosphorylase-like protein	0.0077	0.0287	0.0438
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0416	0.2367	0.4706
Brugia malayi	uridine phosphorylase family protein	0.0077	0.0287	0.0316
Echinococcus multilocularis	microtubule associated protein 2	0.0721	0.4238	0.6686
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0076
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0031	0.0007	0.0017
Brugia malayi	F/Y-rich N-terminus family protein	0.0033	0.0018	0.0019
Schistosoma mansoni	hepatoma derived growth factor	0.0103	0.0445	0.1049
Echinococcus multilocularis	uridine phosphorylase 1	0.0077	0.0287	0.0453
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0416	0.2367	0.3537
Schistosoma mansoni	SET domain protein	0.0119	0.0546	0.1287
Echinococcus multilocularis	peregrin	0.0133	0.0631	0.0995
Echinococcus granulosus	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Chlamydia trachomatis	AMP nucleosidase	0.0077	0.0287	0.5
Echinococcus multilocularis	geminin	0.0176	0.0894	0.1411
Echinococcus granulosus	hepatoma derived growth factor protein	0.0103	0.0445	0.0702
Brugia malayi	GATA zinc finger family protein	0.004	0.0061	0.0067
Echinococcus granulosus	uridine phosphorylase 1	0.0077	0.0287	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0076
Echinococcus multilocularis	lysine specific demethylase 5A	0.0037	0.0039	0.0062
Loa Loa (eye worm)	acetylcholinesterase 1	0.0246	0.1321	0.1452
Schistosoma mansoni	purine nucleoside phosphorylase	0.0077	0.0287	0.0677
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0076
Echinococcus granulosus	histone lysine n methyltransferase setb1	0.0035	0.003	0.0047
Brugia malayi	Disco-interacting protein 2 homolog	0.0349	0.1954	0.2149
Schistosoma mansoni	bromo adjacent homology domain containing	0.004	0.0061	0.0144
Schistosoma mansoni	enhancer of zeste ezh	0.0307	0.17	0.401
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0077	0.0287	0.0349
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0032	0.001	0.0023
Trypanosoma brucei	cytosine-specific DNA methylase, putative	0.0499	0.2874	0.4363
Toxoplasma gondii	histone arginine methyltransferase PRMT4/CARM1	0.0151	0.0741	0.1641
Trichomonas vaginalis	CDC6, putative	0.004	0.0061	0.0051
Brugia malayi	jmjC domain containing protein	0.0038	0.005	0.0055
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0183	0.0937	0.1479
Trypanosoma brucei	S-adenosylmethionine decarboxylase	0.0425	0.2423	0.3627
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0349
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0163	0.0812	0.1916
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0073	0.0115
Brugia malayi	ELM2 domain containing protein	0.004	0.0061	0.0067
Schistosoma mansoni	purine nucleoside phosphorylase	0.0077	0.0287	0.0677
Echinococcus multilocularis	metastasis associated protein MTA1	0.004	0.0061	0.0096
Schistosoma mansoni	phd finger protein	0.0103	0.0445	0.1049
Plasmodium vivax	DNA (cytosine-5)-methyltransferase, putative	0.0499	0.2874	0.4535
Trypanosoma brucei	Histone methylation protein DOT1, putative	0.0082	0.0316	0.02
Toxoplasma gondii	C-5 cytosine-specific DNA methylase superfamily protein	0.0499	0.2874	0.6366
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0277
Toxoplasma gondii	phosphorylase family protein	0.0077	0.0287	0.0635
Brugia malayi	hypothetical protein	0.0103	0.0445	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0072	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0193	0.0213
Entamoeba histolytica	hypothetical protein	0.0077	0.0287	0.0349
Echinococcus granulosus	protein arginine N methyltransferase 8	0.0032	0.001	0.0015
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0349
Echinococcus multilocularis	histone lysine N methyltransferase E(z)	0.0307	0.17	0.2681
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0416	0.2367	0.3537
Echinococcus multilocularis	protein arginine methyltransferase	0.0032	0.001	0.0015
Entamoeba histolytica	hypothetical protein	0.0103	0.0445	0.0938
Brugia malayi	hypothetical protein	0.0041	0.0069	0.0076
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0225	0.1192	0.2812
Treponema pallidum	uridine phosphorylase (udp)	0.0077	0.0287	0.5
Echinococcus multilocularis	arginine glutamic acid dipeptide (RE) repeats	0.004	0.0061	0.0096
Toxoplasma gondii	phosphorylase family protein	0.0077	0.0287	0.0635
Echinococcus granulosus	microtubule associated protein 2	0.0721	0.4238	0.6686
Schistosoma mansoni	hypothetical protein	0.0103	0.0445	0.1049
Echinococcus granulosus	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0076
Echinococcus multilocularis	disco interacting protein 2	0.0349	0.1954	0.3083
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0225	0.1192	0.188
Brugia malayi	MTAP	0.0416	0.2367	0.2604
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0041	0.0069	0.0162
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0934	0.5544	0.6097
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0041	0.0069	0.0108
Brugia malayi	PWWP domain containing protein	0.0103	0.0445	0.0489
Toxoplasma gondii	DNA methyltransferase 2, putative	0.0499	0.2874	0.6366
Echinococcus multilocularis	histone lysine n methyltransferase suv420h1	0.0143	0.069	0.1089
Echinococcus granulosus	PWWP domain containing protein 2A	0.0103	0.0445	0.0702
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0416	0.2367	0.2604
Schistosoma mansoni	hypothetical protein	0.0054	0.0146	0.0344
Brugia malayi	Carboxylesterase family protein	0.0041	0.0069	0.0076
Toxoplasma gondii	histone arginine methyltransferase PRMT1	0.0032	0.001	0.0022
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0077	0.0287	0.0447
Plasmodium vivax	spermidine synthase, putative	0.1064	0.6339	1
Loa Loa (eye worm)	hypothetical protein	0.0934	0.5544	0.6097
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.0287	0.0277
Echinococcus granulosus	S adenosylmethionine decarboxylase proenzyme	0.0425	0.2423	0.3822
Leishmania major	hypothetical protein, conserved	0.0103	0.0445	0.0687
Plasmodium falciparum	spermidine synthase	0.1064	0.6339	1
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0077	0.0287	0.0447
Echinococcus multilocularis	PWWP domain containing protein 2A	0.0103	0.0445	0.0702
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0277
Schistosoma mansoni	BC026374 protein (S09 family)	0.0041	0.0069	0.0162
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.004	0.0061	0.0144
Leishmania major	histone-lysine N-methyltransferase, putative	0.0082	0.0316	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0069	0.0076
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0277
Echinococcus multilocularis	bromo adjacent y domain containing 1	0.004	0.0061	0.0096
Echinococcus granulosus	acetylcholinesterase	0.0246	0.1321	0.2083
Echinococcus granulosus	protein arginine methyltransferase	0.0032	0.001	0.0015
Leishmania major	spermidine synthase	0.1064	0.6339	1
Loa Loa (eye worm)	PWWP domain-containing protein	0.0103	0.0445	0.0489
Echinococcus granulosus	PWWP domain containing protein 2A	0.0103	0.0445	0.0702
Trichomonas vaginalis	origin recognition complex subunit, putative	0.004	0.0061	0.0051
Trypanosoma brucei	spermidine synthase	0.1064	0.6339	1
Brugia malayi	S-adenosylmethionine decarboxylase proenzyme	0.0425	0.2423	0.2664
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0073	0.0115
Echinococcus granulosus	BC026374 protein S09 family	0.0041	0.0069	0.0108
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0349
Echinococcus granulosus	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Echinococcus multilocularis	acetylcholinesterase	0.0246	0.1321	0.2083
Echinococcus granulosus	cpg binding protein	0.0335	0.187	0.295
Plasmodium falciparum	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Leishmania major	S-adenosylmethionine decarboxylase	0.0425	0.2423	0.3812
Loa Loa (eye worm)	hypothetical protein	0.0359	0.2017	0.2218
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0416	0.2367	0.3537
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0416	0.2367	0.5585
Plasmodium falciparum	histone-lysine N-methyltransferase, putative	0.0088	0.0355	0.056
Echinococcus granulosus	histone arginine methyltransferase CARMER	0.0151	0.0741	0.1169
Echinococcus multilocularis	neuroligin	0.0041	0.0069	0.0108
Schistosoma mansoni	cpg binding protein	0.0335	0.187	0.4412
Schistosoma mansoni	acetylcholinesterase	0.0041	0.0069	0.0162
Brugia malayi	SET domain containing protein	0.0307	0.17	0.1869
Echinococcus granulosus	geminin	0.0176	0.0894	0.1411
Giardia lamblia	UPL-1	0.0077	0.0287	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0537	0.059
Loa Loa (eye worm)	hypothetical protein	0.004	0.0061	0.0067
Loa Loa (eye worm)	carboxylesterase	0.0246	0.1321	0.1452
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0077	0.0287	0.0152
Echinococcus multilocularis	histone arginine methyltransferase CARMER	0.0151	0.0741	0.1169
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0077	0.0287	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1321	0.1452
Schistosoma mansoni	gliotactin	0.0041	0.0069	0.0162
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0032	0.001	0.0023
Schistosoma mansoni	cpg binding protein	0.0335	0.187	0.4412
Echinococcus granulosus	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0934	0.5544	0.6097
Echinococcus multilocularis	S adenosylmethionine decarboxylase proenzyme	0.0425	0.2423	0.3822
Loa Loa (eye worm)	hypothetical protein	0.0359	0.2017	0.2218
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0078	0.0291	0.0687
Loa Loa (eye worm)	uridine phosphorylase	0.0077	0.0287	0.0316
Toxoplasma gondii	hypothetical protein	0.0103	0.0445	0.0985
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0275	0.1499	0.3536
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0077	0.0287	0.0152
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0416	0.2367	0.3734
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.1513	0.9093	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0041	0.0069	0.0059
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0041	0.0069	0.0059
Leishmania major	modification methylase-like protein	0.0499	0.2874	0.4526
Echinococcus granulosus	disco interacting protein 2	0.0349	0.1954	0.3083
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.004	0.0061	0.0144
Brugia malayi	Spermidine synthase	0.1064	0.6339	0.6972
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0077	0.0287	0.0453
Onchocerca volvulus		0.0121	0.0558	0.0558
Toxoplasma gondii	hypothetical protein	0.0766	0.4515	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0163	0.0812	0.1798
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0041	0.0069	0.0162
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0225	0.1192	0.2812
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0077	0.0287	0.0447
Echinococcus multilocularis	metastasis associated protein 1 (mta1)	0.004	0.0061	0.0096
Trypanosoma cruzi	MIZ/SP-RING zinc finger, putative	0.0103	0.0445	0.0409
Echinococcus multilocularis	para nitrobenzyl esterase	0.0041	0.0069	0.0108
Echinococcus multilocularis	SET and MYND domain containing protein 3	0.0073	0.0264	0.0417
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.005	0.0117
Echinococcus granulosus	purine nucleoside phosphorylase	0.0077	0.0287	0.0453
Plasmodium falciparum	protein arginine N-methyltransferase 1	0.0032	0.001	0.0015
Treponema pallidum	pfs protein (pfs)	0.0077	0.0287	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0721	0.4238	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.003	0.0033

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 39 nM	In vitro inhibition of electric eel acetylcholinesterase	ChEMBL.	11495583
IC50 (binding)	= 190 nM	In vitro inhibition of acetylcholinesterase from human erythrocytes	ChEMBL.	11495583
IC50 (binding)	= 280 nM	Inhibition of butrylcholinesterase from human serum	ChEMBL.	11495583
IC50 ratio (binding)	= 1.5	IC50 (hBuChE/hAChE) ratio of the compound	ChEMBL.	11495583

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: CHEMBL1202885

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 939266