TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 474.548 | Formula: C28H30N2O5
H donors: 0 H acceptors: 3 LogP: 6.26 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CN(Cc1ccccc1[N+](=O)[O-])CCCCCCCOc1ccc2c(c1)oc1c(c2=O)cccc1
InChi: 1S/C28H30N2O5/c1-29(20-21-11-5-7-13-25(21)30(32)33)17-9-3-2-4-10-18-34-22-15-16-24-27(19-22)35-26-14-8-6-12-23(26)28(24)31/h5-8,11-16,19H,2-4,9-10,17-18,20H2,1H3
InChiKey: LBPFDUWOEXLOIT-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	butyrylcholinesterase	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
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
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
Echinococcus granulosus	carboxylesterase 5A	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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	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
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
Loa Loa (eye worm)	acetylcholinesterase 1	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
Brugia malayi	Carboxylesterase family protein	butyrylcholinesterase	602 aa	546 aa	30.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	G protein coupled receptor 139	0.0057	0.6497	0.639
Echinococcus granulosus	BC026374 protein S09 family	0.0014	0.0568	0.028
Echinococcus granulosus	7TM GPCR rhodopsin	0.0057	0.6497	0.639
Schistosoma mansoni	gliotactin	0.0014	0.0568	0.028
Echinococcus granulosus	g protein coupled receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	serotonin receptor	0.0057	0.6497	0.639
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0014	0.0568	0.028
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0041	0.4332	0.4159
Brugia malayi	Carboxylesterase family protein	0.0082	1	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0014	0.0568	0.028
Echinococcus multilocularis	g protein coupled receptor	0.0057	0.6497	0.639
Echinococcus granulosus	biogenic amine 5HT receptor	0.0057	0.6497	0.639
Brugia malayi	Carboxylesterase family protein	0.0014	0.0568	0.028
Brugia malayi	G-protein coupled receptor	0.0057	0.6497	0.639
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0057	0.6497	1
Brugia malayi	Melatonin receptor type 1A	0.0057	0.6497	0.639
Loa Loa (eye worm)	G-protein coupled receptor	0.0057	0.6497	0.6497
Loa Loa (eye worm)	cytochrome P450 family protein	0.0018	0.109	0.109
Leishmania major	cytochrome p450-like protein	0.0018	0.109	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.6497	0.639
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Echinococcus granulosus	neuropeptide receptor	0.0057	0.6497	0.639
Brugia malayi	hypothetical protein	0.0057	0.6497	0.639
Brugia malayi	sulfakinin receptor protein	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0568	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.6497	0.639
Brugia malayi	G protein-coupled receptor F59B2.13	0.0057	0.6497	0.639
Brugia malayi	Carboxylesterase family protein	0.0014	0.0568	0.028
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Brugia malayi	larval opioid receptor	0.0057	0.6497	0.639
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0057	0.6497	0.639
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0057	0.6497	0.639
Echinococcus granulosus	neuropeptide s receptor	0.0057	0.6497	0.639
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0014	0.0568	0.5
Echinococcus multilocularis	neuroligin	0.0014	0.0568	0.028
Onchocerca volvulus		0.0057	0.6497	1
Echinococcus granulosus	g protein coupled receptor	0.0057	0.6497	0.639
Echinococcus granulosus	fmrfamide receptor	0.0057	0.6497	0.639
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.6497	0.639
Schistosoma mansoni	neuropeptide F-like receptor	0.0057	0.6497	0.639
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Brugia malayi	hypothetical protein	0.0057	0.6497	0.639
Echinococcus multilocularis	sex peptide receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	neuropeptides capa receptor	0.0057	0.6497	0.639
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.3958	1
Echinococcus granulosus	neuropeptide receptor	0.0057	0.6497	0.639
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.4854	0.4697
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0057	0.6497	0.6497
Schistosoma mansoni	biogenic amine receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0057	0.6497	0.639
Brugia malayi	Carboxylesterase family protein	0.0014	0.0568	0.028
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0057	0.6497	0.639
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.4854	0.4697
Echinococcus granulosus	tm gpcr rhodopsin	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0297	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0568	0.0568
Loa Loa (eye worm)	TYRA-2 protein	0.0057	0.6497	0.6497
Echinococcus multilocularis	neuropeptide receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus granulosus	G protein coupled receptor 139	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	allatostatin A receptor	0.0057	0.6497	0.639
Echinococcus granulosus	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Echinococcus multilocularis	fmrfamide receptor	0.0057	0.6497	0.639
Echinococcus granulosus	allatostatin A receptor	0.0057	0.6497	0.639
Brugia malayi	Carboxylesterase family protein	0.0014	0.0568	0.028
Echinococcus granulosus	neuropeptides capa receptor	0.0057	0.6497	0.639
Schistosoma mansoni	amine GPCR	0.0057	0.6497	0.639
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0057	0.6497	0.639
Schistosoma mansoni	acetylcholinesterase	0.0014	0.0568	0.028
Echinococcus multilocularis	para nitrobenzyl esterase	0.0014	0.0568	0.028
Echinococcus granulosus	g-protein coupled receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0568	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0568	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Schistosoma mansoni	hypothetical protein	0.0057	0.6497	0.639
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0057	0.6497	0.639
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0057	0.6497	0.639
Trypanosoma cruzi	cytochrome P450, putative	0.0018	0.109	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0057	0.6497	0.639
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.6497	0.639
Echinococcus granulosus	acetylcholinesterase	0.0082	1	1
Schistosoma mansoni	adenoreceptor	0.0057	0.6497	0.639
Brugia malayi	Dopamine receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0057	0.6497	0.639
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0057	0.6497	0.639
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0014	0.0568	0.028
Brugia malayi	hypothetical protein	0.0057	0.6497	0.639
Echinococcus multilocularis	serotonin receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	g protein coupled receptor	0.0057	0.6497	0.639
Trypanosoma cruzi	cytochrome P450, putative	0.0018	0.109	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Schistosoma mansoni	hypothetical protein	0.0057	0.6497	0.639
Loa Loa (eye worm)	CYP4Cod1	0.0018	0.109	0.109
Echinococcus multilocularis	orexin receptor type 2	0.0057	0.6497	0.639
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0057	0.6497	0.639
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.3958	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0057	0.6497	0.639
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0568	0.028
Echinococcus granulosus	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Onchocerca volvulus		0.0057	0.6497	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0568	0.028
Brugia malayi	putative neuropeptide receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0057	0.6497	0.639
Loa Loa (eye worm)	carboxylesterase	0.0082	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Brugia malayi	hypothetical protein	0.0014	0.0568	0.028
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Brugia malayi	hypothetical protein	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Schistosoma mansoni	biogenic amine receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Brugia malayi	hypothetical protein	0.0057	0.6497	0.639
Echinococcus multilocularis	carboxylesterase 5A	0.0082	1	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0014	0.0568	0.028
Loa Loa (eye worm)	cytochrome P450 family protein	0.0018	0.109	0.109
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus granulosus	dro:myosuppressin receptor	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Brugia malayi	Serotonin receptor	0.0057	0.6497	0.639
Trypanosoma brucei	cytochrome P450, putative	0.0018	0.109	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Echinococcus granulosus	tm gpcr rhodopsin	0.0057	0.6497	0.639
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0057	0.6497	0.639
Brugia malayi	Cytochrome P450 family protein	0.0029	0.268	0.2456
Schistosoma mansoni	biogenic amine receptor	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus granulosus	g protein coupled receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0057	0.6497	0.639
Brugia malayi	Cytochrome P450 family protein	0.0018	0.109	0.0818
Echinococcus multilocularis	neuropeptides capa receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0057	0.6497	0.639
Schistosoma mansoni	hypothetical protein	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus multilocularis	neuropeptide Y receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Onchocerca volvulus		0.0057	0.6497	1
Schistosoma mansoni	neuropeptide receptor	0.0057	0.6497	0.639
Echinococcus granulosus	neuropeptide Y receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	dro:myosuppressin receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0568	0.0568
Brugia malayi	hypothetical protein	0.0057	0.6497	0.639
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Brugia malayi	G-protein coupled receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	neuropeptide receptor A26	0.0057	0.6497	0.639
Echinococcus granulosus	acetylcholinesterase	0.0082	1	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Schistosoma mansoni	neuropeptide receptor	0.0057	0.6497	0.639
Echinococcus granulosus	neuropeptides capa receptor	0.0057	0.6497	0.639
Echinococcus granulosus	neuroligin	0.0014	0.0568	0.028
Onchocerca volvulus		0.0057	0.6497	1
Echinococcus multilocularis	acetylcholinesterase	0.0082	1	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus granulosus	biogenic amine 5HT receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	g-protein coupled receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0082	1	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0057	0.6497	0.639
Loa Loa (eye worm)	neuropeptide F receptor	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Brugia malayi	G protein-coupled receptor	0.0057	0.6497	0.639
Brugia malayi	hypothetical protein	0.0057	0.6497	0.639
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0057	0.6497	0.639
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0057	0.6497	0.639
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0057	0.6497	0.639
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0057	0.6497	0.639
Brugia malayi	GnHR receptor homolog	0.0057	0.6497	0.639
Echinococcus multilocularis	neuropeptide s receptor	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	1	1
Onchocerca volvulus		0.0057	0.6497	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0041	0.4332	0.4159
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0057	0.6497	0.6497
Schistosoma mansoni	neuropeptide receptor	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Schistosoma mansoni	opsin-like receptor	0.0057	0.6497	0.639
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0018	0.109	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0568	0.0568
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0057	0.6497	0.639
Echinococcus granulosus	carboxylesterase 5A	0.0082	1	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0014	0.0568	0.028
Brugia malayi	Dopamine receptor protein 2	0.0057	0.6497	0.639
Schistosoma mansoni	opsin-like receptor	0.0057	0.6497	0.639
Schistosoma mansoni	amine GPCR	0.0057	0.6497	0.639
Brugia malayi	Dopamine receptor protein 1	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Brugia malayi	follicle stimulating hormone receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus multilocularis	g protein coupled receptor	0.0057	0.6497	0.639
Brugia malayi	RE15519p	0.0057	0.6497	0.639
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0057	0.6497	0.6497
Schistosoma mansoni	neuropeptide F-like receptor	0.0057	0.6497	0.639
Echinococcus granulosus	sex peptide receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0568	0.0568
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0057	0.6497	0.639
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0057	0.6497	0.639
Echinococcus granulosus	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0041	0.4332	0.4159
Loa Loa (eye worm)	hypothetical protein	0.0082	1	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0057	0.6497	0.639
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0057	0.6497	0.639
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0057	0.6497	0.639
Brugia malayi	AKH receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Brugia malayi	hypothetical protein	0.0057	0.6497	0.639
Brugia malayi	Cytochrome P450 family protein	0.0018	0.109	0.0818
Echinococcus granulosus	serotonin receptor	0.0057	0.6497	0.639
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.6497	0.639
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0568	0.028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.6497	0.639
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0057	0.6497	0.639
Echinococcus granulosus	neuropeptide Y receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Schistosoma mansoni	hypothetical protein	0.0057	0.6497	0.639
Echinococcus granulosus	somatostatin receptor	0.0057	0.6497	0.639
Schistosoma mansoni	neuropeptide f receptor 76f	0.0057	0.6497	0.639
Schistosoma mansoni	amine GPCR	0.0057	0.6497	0.639
Echinococcus granulosus	orexin receptor type 2	0.0057	0.6497	0.639
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0057	0.6497	0.6497
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0057	0.6497	0.639
Brugia malayi	hypothetical protein	0.0057	0.6497	0.639
Brugia malayi	neuropeptide F receptor	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Echinococcus multilocularis	somatostatin receptor	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Brugia malayi	hypothetical protein	0.0057	0.6497	0.639
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0057	0.6497	0.639
Brugia malayi	Serotonin receptor	0.0057	0.6497	0.639
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	neuropeptide receptor	0.0057	0.6497	0.639
Onchocerca volvulus		0.0057	0.6497	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0057	0.6497	0.639
Schistosoma mansoni	histamine h1 receptor	0.0057	0.6497	0.639
Schistosoma mansoni	amine GPCR	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	melatonin receptor type 1A	0.0057	0.6497	0.6497
Loa Loa (eye worm)	G-protein coupled receptor	0.0057	0.6497	0.6497
Echinococcus granulosus	neuropeptide receptor A26	0.0057	0.6497	0.639
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0014	0.0568	0.028
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0014	0.0568	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	1	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Schistosoma mansoni	growth hormone secretagogue receptor	0.0057	0.6497	0.639
Schistosoma mansoni	myosin xvIII	0.0057	0.6497	0.639
Schistosoma mansoni	neuropeptide receptor	0.0057	0.6497	0.639
Echinococcus granulosus	7tm_1 domain containing protein	0.0057	0.6497	0.639
Brugia malayi	neuropeptide F receptor	0.0057	0.6497	0.639
Echinococcus granulosus	rhodopsin orphan GPCR	0.0057	0.6497	0.639
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0036	0.3582	0.3582
Schistosoma mansoni	amine GPCR	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Echinococcus granulosus	neuropeptide FF receptor 2	0.0057	0.6497	0.639
Echinococcus multilocularis	acetylcholinesterase	0.0082	1	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0057	0.6497	0.639
Echinococcus multilocularis	neuropeptide Y receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0568	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6497	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0568	0.0568
Echinococcus granulosus	hypothetical protein	0.0057	0.6497	0.639
Echinococcus multilocularis	fmrfamide receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0057	0.6497	0.639
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0057	0.6497	0.639
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0057	0.6497	0.6497
Loa Loa (eye worm)	neuropeptide F receptor	0.0057	0.6497	0.6497
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0057	0.6497	1
Schistosoma mansoni	opsin-like receptor	0.0057	0.6497	0.639
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0057	0.6497	0.639
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0041	0.4332	0.4332
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0014	0.0568	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.268	0.268
Brugia malayi	ORL1-like opioid receptor	0.0057	0.6497	0.639
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0057	0.6497	0.639

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 14 uM	Inhibition of human serum BuChE	ChEMBL.	17008100
IC50 (binding)	= 14 uM	Inhibition of human serum BuChE	ChEMBL.	17008100
IC50 (binding)	= 413 uM	Inhibition of human erythrocyte AchE	ChEMBL.	17008100
IC50 (binding)	= 413 uM	Inhibition of human erythrocyte AchE	ChEMBL.	17008100
Ratio IC50 (binding)	= 0.03	Ratio of IC50 for BuChE to IC50 for AchE	ChEMBL.	17008100
Ratio IC50 (binding)	= 29.5	Ratio of IC50 for AchE to IC50 for BuChE	ChEMBL.	17008100

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: CHEMBL224811

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 420800