TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 292.719 | Formula: C10H17ClN4O4
H donors: 1 H acceptors: 3 LogP: 1.27 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C/c1n(COCC([N+](=O)[O-])(C)C)cc[n+]1C.[Cl-]
InChi: 1S/C10H16N4O4.ClH/c1-10(2,14(16)17)7-18-8-13-5-4-12(3)9(13)6-11-15;/h4-6H,7-8H2,1-3H3;1H
InChiKey: ZFKRONCEAOZFSW-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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
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
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	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	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
Echinococcus multilocularis	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
Brugia malayi	Carboxylesterase family protein	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0211	0.0211
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Echinococcus multilocularis	abhydrolase domain containing 3	0.0021	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Mycobacterium ulcerans	hypothetical protein	0.0021	0.0118	0.0216
Brugia malayi	hypothetical protein	0.0027	0.0211	0.0211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0211	0.0211
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0078	0.1015	0.1674
Echinococcus granulosus	g-protein coupled receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	dro:myosuppressin receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Schistosoma mansoni	neuropeptide receptor	0.0027	0.0211	0.0211
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0078	0.1015	0.1853
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Schistosoma mansoni	fatty-acid amide hydrolase	0.065	1	1
Echinococcus granulosus	acetylcholinesterase	0.0082	0.1069	0.1069
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0027	0.0211	0.0211
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0027	0.0211	0.0211
Brugia malayi	larval opioid receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	7tm_1 domain containing protein	0.0027	0.0211	0.0211
Schistosoma mansoni	amine GPCR	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0027	0.0211	0.0211
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0027	0.0211	0.0211
Brugia malayi	hypothetical protein	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Toxoplasma gondii	hypothetical protein	0.0021	0.0118	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0027	0.0211	0.0211
Brugia malayi	neuropeptide F receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	neuropeptide F-like receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0027	0.0211	0.0211
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0362	0.5477	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Echinococcus granulosus	g protein coupled receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	abhydrolase domain containing 3	0.0021	0.0118	0.0118
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0027	0.0211	0.0211
Echinococcus granulosus	fmrfamide receptor	0.0027	0.0211	0.0211
Brugia malayi	neuropeptide F receptor	0.0027	0.0211	0.0211
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0027	0.0211	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0078	0.1015	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Schistosoma mansoni	neuropeptide F-like receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	growth hormone secretagogue receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	carboxylesterase 5A	0.0082	0.1069	0.1069
Onchocerca volvulus		0.0027	0.0211	1
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0021	0.0118	0.0216
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0021	0.0118	0.0118
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0211	0.0211
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0021	0.0118	0.5
Echinococcus granulosus	fatty acid amide hydrolase 1	0.065	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0118	0.0118
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0118	0.0216
Onchocerca volvulus		0.0027	0.0211	1
Loa Loa (eye worm)	hypothetical protein	0.065	1	1
Brugia malayi	hypothetical protein	0.0027	0.0211	0.0211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0211	0.0211
Loa Loa (eye worm)	amidase	0.0078	0.1015	0.1015
Trypanosoma cruzi	amidase, putative	0.0078	0.1015	0.1674
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0027	0.0211	0.0211
Schistosoma mansoni	hypothetical protein	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Echinococcus multilocularis	orexin receptor type 2	0.0027	0.0211	0.0211
Echinococcus granulosus	G protein coupled receptor 139	0.0027	0.0211	0.0211
Echinococcus multilocularis	neuropeptide receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	g protein coupled receptor	0.0027	0.0211	0.0211
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0118	0.0216
Brugia malayi	MGC79044 protein	0.0021	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Schistosoma mansoni	neuropeptide receptor	0.0027	0.0211	0.0211
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0078	0.1015	0.1674
Brugia malayi	Carboxylesterase family protein	0.0082	0.1069	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1069	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0027	0.0211	0.0211
Brugia malayi	hypothetical protein	0.0027	0.0211	0.0211
Brugia malayi	G protein-coupled receptor F59B2.13	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Loa Loa (eye worm)	neuropeptide F receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	biogenic amine 5HT receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus granulosus	g protein coupled receptor	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0027	0.0211	0.0211
Echinococcus granulosus	neuropeptide receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	carboxylesterase	0.0082	0.1069	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus granulosus	acetylcholinesterase	0.0082	0.1069	0.1069
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0211	0.0211
Schistosoma mansoni	biogenic amine receptor	0.0027	0.0211	0.0211
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0362	0.5477	1
Echinococcus granulosus	neuropeptide Y receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	somatostatin receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0027	0.0211	0.0211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0211	0.0211
Brugia malayi	putative neuropeptide receptor NPR1	0.0027	0.0211	0.0211
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0027	0.0211	0.0211
Toxoplasma gondii	peptidase S15, putative	0.0021	0.0118	0.5
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0078	0.1015	0.1015
Echinococcus granulosus	neuropeptide receptor A26	0.0027	0.0211	0.0211
Loa Loa (eye worm)	amidase	0.0078	0.1015	0.1015
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.1069	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Echinococcus granulosus	allatostatin A receptor	0.0027	0.0211	0.0211
Mycobacterium ulcerans	amidase	0.0078	0.1015	0.1853
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Echinococcus granulosus	tm gpcr rhodopsin	0.0027	0.0211	0.0211
Loa Loa (eye worm)	G-protein coupled receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0078	0.1015	0.1015
Brugia malayi	hypothetical protein	0.0027	0.0211	0.0211
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	neuropeptide receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0027	0.0211	0.0211
Brugia malayi	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus granulosus	neuropeptides capa receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Giardia lamblia	Cgi67 serine protease precursor-like protein	0.0021	0.0118	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	serotonin receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0211	0.0211
Brugia malayi	G protein-coupled receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0021	0.0118	0.0118
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Echinococcus multilocularis	neuropeptide receptor A26	0.0027	0.0211	0.0211
Echinococcus multilocularis	sex peptide receptor	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Schistosoma mansoni	hypothetical protein	0.0027	0.0211	0.0211
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	0.1069	0.1069
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0027	0.0211	0.0211
Brugia malayi	Dopamine receptor protein 1	0.0027	0.0211	0.0211
Schistosoma mansoni	amine GPCR	0.0027	0.0211	0.0211
Loa Loa (eye worm)	neuropeptide F receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0027	0.0211	0.0211
Brugia malayi	Protein C20orf22	0.0021	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0118	0.0118
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0078	0.1015	0.1853
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Toxoplasma gondii	phospholipase	0.0021	0.0118	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Plasmodium falciparum	lysophospholipase, putative	0.0362	0.5477	1
Brugia malayi	Serotonin receptor	0.0027	0.0211	0.0211
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0021	0.0118	0.0216
Brugia malayi	hypothetical protein	0.0027	0.0211	0.0211
Brugia malayi	hypothetical protein	0.0027	0.0211	0.0211
Brugia malayi	RE15519p	0.0027	0.0211	0.0211
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0078	0.1015	0.1853
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0362	0.5477	1
Echinococcus granulosus	Phospholipase carboxylesterase	0.0021	0.0118	0.0118
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0021	0.0118	0.0216
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0078	0.1015	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0027	0.0211	0.0211
Schistosoma mansoni	histamine h1 receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0027	0.0211	0.0211
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0118	0.0216
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0027	0.0211	0.0211
Mycobacterium ulcerans	amidase	0.0078	0.1015	0.1853
Schistosoma mansoni	neuropeptide receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0027	0.0211	0.0211
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0118	0.0216
Mycobacterium tuberculosis	Possible lysophospholipase	0.0362	0.5477	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0118	0.0216
Trypanosoma brucei	monoglyceride lipase, putative	0.0362	0.5477	1
Brugia malayi	putative amidase	0.0078	0.1015	0.1015
Brugia malayi	Dopamine receptor protein 2	0.0027	0.0211	0.0211
Brugia malayi	G-protein coupled receptor	0.0027	0.0211	0.0211
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0021	0.0118	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0118	0.0216
Schistosoma mansoni	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.065	1	1
Echinococcus multilocularis	neuropeptide s receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	amine GPCR	0.0027	0.0211	0.0211
Schistosoma mansoni	opsin-like receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	somatostatin receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	neuropeptide Y receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Mycobacterium ulcerans	amidase	0.0078	0.1015	0.1853
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0078	0.1015	0.5
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0021	0.0118	0.0118
Echinococcus multilocularis	g-protein coupled receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Schistosoma mansoni	fatty-acid amide hydrolase	0.0078	0.1015	0.1015
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0021	0.0118	0.0216
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0078	0.1015	0.5
Plasmodium vivax	PST-A protein	0.0362	0.5477	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0027	0.0211	0.0211
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0362	0.5477	1
Trypanosoma cruzi	monoglyceride lipase, putative	0.0362	0.5477	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0027	0.0211	0.0211
Schistosoma mansoni	amine GPCR	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Schistosoma mansoni	amine GPCR	0.0027	0.0211	0.0211
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0027	0.0211	0.0211
Plasmodium falciparum	lysophospholipase, putative	0.0362	0.5477	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0027	0.0211	0.0211
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0021	0.0118	0.0216
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0078	0.1015	0.1015
Mycobacterium ulcerans	amidase	0.0078	0.1015	0.1853
Toxoplasma gondii	hypothetical protein	0.0021	0.0118	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0118	0.0118
Onchocerca volvulus		0.0027	0.0211	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Mycobacterium ulcerans	lysophospholipase	0.0362	0.5477	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0362	0.5477	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0027	0.0211	0.0211
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0027	0.0211	0.0211
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.1069	0.1069
Mycobacterium ulcerans	amidase	0.0078	0.1015	0.1853
Schistosoma mansoni	myosin xvIII	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0118	0.0118
Schistosoma mansoni	neuropeptide receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	adenoreceptor	0.0027	0.0211	0.0211
Echinococcus granulosus	fatty acid amide hydrolase 1	0.065	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Brugia malayi	Carboxylesterase family protein	0.0082	0.1069	0.1069
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0118	0.0216
Brugia malayi	GnHR receptor homolog	0.0027	0.0211	0.0211
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0021	0.0118	0.0216
Echinococcus multilocularis	carboxylesterase 5A	0.0082	0.1069	0.1069
Echinococcus granulosus	neuropeptides capa receptor	0.0027	0.0211	0.0211
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0027	0.0211	0.0211
Toxoplasma gondii	phospholipase/carboxylesterase	0.0021	0.0118	0.5
Toxoplasma gondii	protein c14orf29, putative	0.0021	0.0118	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	sex peptide receptor	0.0027	0.0211	0.0211
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0362	0.5477	1
Brugia malayi	Melatonin receptor type 1A	0.0027	0.0211	0.0211
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0078	0.1015	0.1674
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0021	0.0118	0.0118
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0027	0.0211	0.0211
Brugia malayi	putative neuropeptide receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Trichomonas vaginalis	conserved hypothetical protein	0.0362	0.5477	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	fmrfamide receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	serotonin receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Brugia malayi	ORL1-like opioid receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0027	0.0211	0.0211
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0021	0.0118	0.0118
Echinococcus granulosus	orexin receptor type 2	0.0027	0.0211	0.0211
Brugia malayi	Serotonin receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Schistosoma mansoni	hypothetical protein	0.0027	0.0211	0.0211
Toxoplasma gondii	hypothetical protein	0.0021	0.0118	0.5
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.065	1	1
Mycobacterium ulcerans	hypothetical protein	0.0021	0.0118	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Trypanosoma cruzi	amidase, putative	0.0078	0.1015	0.1674
Brugia malayi	Amidase family protein	0.0078	0.1015	0.1015
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0027	0.0211	0.0211
Leishmania major	monoglyceride lipase, putative	0.0362	0.5477	1
Brugia malayi	Dopamine receptor	0.0027	0.0211	0.0211
Brugia malayi	AKH receptor	0.0027	0.0211	0.0211
Trypanosoma brucei	monoglyceride lipase, putative	0.0362	0.5477	1
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0078	0.1015	0.1853
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	g protein coupled receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	neuropeptide Y receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0027	0.0211	0.0211
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0362	0.5477	1
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0118	0.0216
Echinococcus multilocularis	g protein coupled receptor	0.0027	0.0211	0.0211
Mycobacterium ulcerans	hydrolase	0.0021	0.0118	0.0216
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0078	0.1015	0.1853
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus granulosus	g protein coupled receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	dro:myosuppressin receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	biogenic amine 5HT receptor	0.0027	0.0211	0.0211
Brugia malayi	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus granulosus	hypothetical protein	0.0027	0.0211	0.0211
Plasmodium falciparum	esterase, putative	0.0362	0.5477	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Schistosoma mansoni	peptidase	0.0021	0.0118	0.0118
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0027	0.0211	0.0211
Brugia malayi	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	neuropeptides capa receptor	0.0027	0.0211	0.0211
Brugia malayi	G-protein coupled receptor	0.0027	0.0211	0.0211
Echinococcus granulosus	neuropeptide FF receptor 2	0.0027	0.0211	0.0211
Schistosoma mansoni	opsin-like receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	neuropeptide receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	melatonin receptor type 1A	0.0027	0.0211	0.0211
Brugia malayi	sulfakinin receptor protein	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0027	0.0211	0.0211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0211	0.0211
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0362	0.5477	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	allatostatin A receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0118	0.0118
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0021	0.0118	0.0216
Trichomonas vaginalis	conserved hypothetical protein	0.0362	0.5477	1
Loa Loa (eye worm)	TYRA-2 protein	0.0027	0.0211	0.0211
Schistosoma mansoni	neuropeptide f receptor 76f	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Brugia malayi	Amidase family protein	0.0078	0.1015	0.1015
Echinococcus granulosus	neuropeptide s receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	amidase	0.065	1	1
Schistosoma mansoni	biogenic amine receptor	0.0027	0.0211	0.0211
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0118	0.0216
Mycobacterium ulcerans	peptide amidase, GatA	0.0078	0.1015	0.1853
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0362	0.5477	1
Brugia malayi	follicle stimulating hormone receptor	0.0027	0.0211	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0021	0.0118	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Echinococcus multilocularis	serotonin receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	biogenic amine receptor	0.0027	0.0211	0.0211
Mycobacterium ulcerans	hypothetical protein	0.0362	0.5477	1
Leishmania major	hypothetical protein, conserved	0.0078	0.1015	0.1674
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	0.1069	0.1069
Echinococcus multilocularis	G protein coupled receptor 139	0.0027	0.0211	0.0211
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0118	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0211	0.0211
Plasmodium falciparum	lysophospholipase, putative	0.0362	0.5477	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0211	0.0211
Schistosoma mansoni	opsin-like receptor	0.0027	0.0211	0.0211
Toxoplasma gondii	hypothetical protein	0.0021	0.0118	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0027	0.0211	0.0211
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0021	0.0118	0.0118
Echinococcus granulosus	7TM GPCR rhodopsin	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0078	0.1015	0.1015
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0027	0.0211	0.0211
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0027	0.0211	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1069	0.1069
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0027	0.0211	0.0211
Brugia malayi	MGC83647 protein	0.0021	0.0118	0.0118
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0027	0.0211	0.0211
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0027	0.0211	0.0211
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0078	0.1015	0.1853
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.0021	0.0118	0.5
Onchocerca volvulus		0.0027	0.0211	1
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0021	0.0118	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0211	0.0211
Onchocerca volvulus		0.0027	0.0211	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10.6 uM	In vitro concentration of compound required for reversibly inhibiting 50% of human anticholinesterase activity	ChEMBL.	2016711
IC50 (binding)	= 10.6 uM	In vitro concentration of compound required for reversibly inhibiting 50% of human anticholinesterase activity	ChEMBL.	2016711
KHOX (binding)	= 205 M-1 min-1	Rate of formation of the [Acetylcholinesterase /compound] complex is determined	ChEMBL.	2016711
KHOX (binding)	= 205 M-1 min-1	Rate of formation of the [Acetylcholinesterase /compound] complex is determined	ChEMBL.	2016711
Kr (binding)	= 3340000 M	Rate of transformation of the [Acetylcholinesterase /compound] complex to the active enzyme is determined	ChEMBL.	2016711
Kr (binding)	= 3340000 M	Rate of transformation of the [Acetylcholinesterase /compound] complex to the active enzyme is determined	ChEMBL.	2016711
Kr (binding)	= 2400 min-1	Rate of transformation of the [Acetylecholinerase /compound] complex to the active enzyme is determined	ChEMBL.	2016711
Kr (binding)	= 2400 min-1	Rate of transformation of the [Acetylecholinerase /compound] complex to the active enzyme is determined	ChEMBL.	2016711
LD50 (ADMET)	= 0.31 mM kg-1	LD50 value determined intramuscularly in mouse	ChEMBL.	2016711
LD50 (ADMET)	= 0.31 mM kg-1	LD50 value was determined intra-muscularly in mouse	ChEMBL.	2016712
LD50 (ADMET)	= 0.31 mM kg-1	LD50 value determined intramuscularly in mouse	ChEMBL.	2016711
LD50 (ADMET)	= 0.31 mM kg-1	LD50 value was determined intra-muscularly in mouse	ChEMBL.	2016712
logD (ADMET)	= -1.96	Partition coefficient (logD7.4)	ChEMBL.	2016711
No. of survivors (functional)	= 3	Antidotal activity measured in mice exposed to tabun; activity expressed as the no. of survivors at 24 hr out of population of 10 mice each exposed intramuscularly at the dose 1/16 of 2LD50 of the compound	ChEMBL.	2016712
No. of survivors (functional)	= 6	antidotal activity measured in mice exposed to soman; activity expressed as the no. of survivors at 24 h out of population of 10 mice exposed intramuscularly at the dose 1/4 of 2LD50 of the compound	ChEMBL.	2016712
No. of survivors (functional)	= 8	Antidotal activity measured in mice exposed to soman; activity expressed as the no. of survivors at 24 h out of population of 10 mice exposed intramuscularly at a dose 1/16 of 2LD50 of the compound	ChEMBL.	2016712
No. of survivors (functional)	= 3	Antidotal activity measured in mice exposed to tabun; activity expressed as the no. of survivors at 24 hr out of population of 10 mice each exposed intramuscularly at the dose 1/16 of 2LD50 of the compound	ChEMBL.	2016712
No. of survivors (functional)	= 6	antidotal activity measured in mice exposed to soman; activity expressed as the no. of survivors at 24 h out of population of 10 mice exposed intramuscularly at the dose 1/4 of 2LD50 of the compound	ChEMBL.	2016712
No. of survivors (functional)	= 6	Antidotal activity was measured against tabun in mice, activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/4 of 2LD50 of the compound	ChEMBL.	2016712
No. of survivors (functional)	= 8	Antidotal activity measured in mice exposed to soman; activity expressed as the no. of survivors at 24 h out of population of 10 mice exposed intramuscularly at a dose 1/16 of 2LD50 of the compound	ChEMBL.	2016712
Survival (functional)	= 6	Antidotal activity measured against soman in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/4 of 2LD50 of the compound	ChEMBL.	2016711
Survival (functional)	= 3	antidotal activity of the compound was measured against tabun in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/16 of 2LD50 of the compound	ChEMBL.	2016711
Survival (functional)	= 6	Antidotal activity measured against soman in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/4 of 2LD50 of the compound	ChEMBL.	2016711
Survival (functional)	= 6	antidotal activity of the compound was measured against tabun in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/4 of 2LD50 of the compound	ChEMBL.	2016711
Survival (functional)	= 8	Antidotal activity measured against soman in mice, activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/16 of 2LD50 of the compound	ChEMBL.	2016711

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: CHEMBL286990

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 38013