TDR Targets

Basic information

Technical information

TDR Targets ID: 223532
Name: [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]a mino]methyl]phenyl] N-propylcarbamate
MW: 424.49 | Formula: C24H28N2O5
H donors: 1 H acceptors: 2 LogP: 3.88 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCNC(=O)Oc1cccc(c1)CN(CCCOc1ccc2c(c1)occc2=O)C
InChi: 1S/C24H28N2O5/c1-3-11-25-24(28)31-20-7-4-6-18(15-20)17-26(2)12-5-13-29-19-8-9-21-22(27)10-14-30-23(21)16-19/h4,6-10,14-16H,3,5,11-13,17H2,1-2H3,(H,25,28)
InChiKey: FUFMCGMUAVSMEF-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

N-propylcarbamic acid [3-[[methyl-[3-[(4-oxo-1-benzopyran-7-yl)oxy]propyl]amino]methyl]phenyl] ester
N-propylcarbamic acid [3-[[3-(4-ketochromen-7-yl)oxypropyl-methyl-amino]methyl]phenyl] ester
N-propylcarbamic acid [3-[[methyl-[3-[(4-oxo-7-chromenyl)oxy]propyl]amino]methyl]phenyl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	acetylcholinesterase (Yt blood group)	Starlite/ChEMBL	No references
Rattus norvegicus	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)	hypothetical protein	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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	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
Echinococcus granulosus	carboxylesterase 5A	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
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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	614 aa	602 aa	24.3 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	507 aa	26.4 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	614 aa	496 aa	24.0 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	614 aa	564 aa	29.8 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	614 aa	531 aa	39.7 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	583 aa	30.7 %
Brugia malayi	Carboxylesterase family protein	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	573 aa	30.5 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	581 aa	27.0 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	570 aa	25.4 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	614 aa	642 aa	34.0 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	614 aa	642 aa	34.1 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	614 aa	547 aa	32.5 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	632 aa	25.6 %
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	614 aa	577 aa	40.7 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	574 aa	24.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	AKH receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus granulosus	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Schistosoma mansoni	neuropeptide receptor	0.0029	0.0387	0.0569
Brugia malayi	GnHR receptor homolog	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus granulosus	para nitrobenzyl esterase	0.0028	0.0345	0.0496
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0326	0.0326
Echinococcus multilocularis	allatostatin A receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0029	0.0387	0.0569
Loa Loa (eye worm)	acetylcholinesterase 1	0.0164	0.5903	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0029	0.0387	0.0569
Echinococcus granulosus	neuropeptides capa receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0029	0.0387	0.0569
Echinococcus granulosus	serotonin receptor	0.0029	0.0387	0.0569
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.4243	0.7162
Schistosoma mansoni	hypothetical protein	0.0081	0.2509	0.4197
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0029	0.0387	0.0584
Loa Loa (eye worm)	neuropeptide F receptor	0.0029	0.0387	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Schistosoma mansoni	fatty-acid amide hydrolase	0.0123	0.4243	0.7162
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0029	0.0387	0.0569
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0345	0.0496
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0326	0.1106
Echinococcus multilocularis	dro:myosuppressin receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	opsin-like receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0029	0.0387	0.0569
Brugia malayi	hypothetical protein	0.0029	0.0387	0.0569
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	TYRA-2 protein	0.0029	0.0387	0.0584
Echinococcus granulosus	neuropeptide receptor	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0029	0.0387	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Trichomonas vaginalis	esterase, putative	0.0041	0.0903	1
Schistosoma mansoni	gliotactin	0.0028	0.0345	0.0496
Toxoplasma gondii	ABC1 family protein	0.0041	0.0903	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0028	0.0345	0.3418
Brugia malayi	Dopamine receptor	0.0029	0.0387	0.0569
Brugia malayi	follicle stimulating hormone receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	amine GPCR	0.0029	0.0387	0.0569
Echinococcus granulosus	neuropeptide receptor A26	0.0029	0.0387	0.0569
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0028	0.0345	0.0496
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0029	0.0387	0.0569
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0103	0.3403	0.5732
Schistosoma mansoni	neuropeptide receptor	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0029	0.0387	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Onchocerca volvulus		0.0029	0.0387	0.1058
Entamoeba histolytica	hypothetical protein	0.0081	0.2509	1
Echinococcus multilocularis	fmrfamide receptor	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0029	0.0387	0.1058
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0345	0.0496
Onchocerca volvulus		0.0029	0.0387	0.1058
Echinococcus multilocularis	neuropeptide receptor A26	0.0029	0.0387	0.0569
Brugia malayi	Melatonin receptor type 1A	0.0029	0.0387	0.0569
Mycobacterium tuberculosis	Probable hydrolase	0.0041	0.0903	0.0903
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0326	0.3201
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.5903	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0029	0.0387	0.0584
Onchocerca volvulus		0.0029	0.0387	0.1058
Echinococcus granulosus	orexin receptor type 2	0.0029	0.0387	0.0569
Brugia malayi	hypothetical protein	0.0028	0.0345	0.0496
Onchocerca volvulus		0.0029	0.0387	0.1058
Onchocerca volvulus		0.0029	0.0387	0.1058
Mycobacterium ulcerans	lipase LipD	0.0041	0.0903	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0326	0.3277
Schistosoma mansoni	growth hormone secretagogue receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	fmrfamide receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Entamoeba histolytica	hypothetical protein	0.0081	0.2509	1
Entamoeba histolytica	hypothetical protein	0.0081	0.2509	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0029	0.0387	0.0569
Brugia malayi	G-protein coupled receptor	0.0029	0.0387	0.0569
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0041	0.0903	0.0903
Echinococcus granulosus	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0903	1
Brugia malayi	hypothetical protein	0.0029	0.0387	0.0569
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0903	0.0903
Mycobacterium ulcerans	beta-lactamase	0.0041	0.0903	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Brugia malayi	ORL1-like opioid receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Schistosoma mansoni	neuropeptide f receptor 76f	0.0029	0.0387	0.0569
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.3403	0.5725
Schistosoma mansoni	amine GPCR	0.0029	0.0387	0.0569
Echinococcus granulosus	somatostatin receptor	0.0029	0.0387	0.0569
Mycobacterium tuberculosis	Probable lipase LipD	0.0041	0.0903	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Mycobacterium tuberculosis	Probable esterase LipL	0.0041	0.0903	0.0903
Brugia malayi	Serotonin receptor	0.0029	0.0387	0.0569
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0045	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0029	0.0387	0.0569
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0029	0.0387	0.0569
Echinococcus multilocularis	sex peptide receptor	0.0029	0.0387	0.0569
Echinococcus granulosus	neuroligin	0.0028	0.0345	0.0496
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0055	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0029	0.0387	0.0569
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.3403	0.5725
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0029	0.0387	0.1058
Echinococcus granulosus	acetylcholinesterase	0.0164	0.5903	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.3403	0.5725
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0903	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0029	0.0387	0.0584
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0028	0.0345	0.0496
Echinococcus granulosus	neuropeptide Y receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	neuropeptide F receptor	0.0029	0.0387	0.0584
Echinococcus granulosus	biogenic amine 5HT receptor	0.0029	0.0387	0.0569
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.4243	0.7162
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.2045	0.3403
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0029	0.0387	0.0569
Brugia malayi	Carboxylesterase family protein	0.0164	0.5903	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0903	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0028	0.0345	0.3418
Loa Loa (eye worm)	RNA binding protein	0.0069	0.2045	0.3414
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0326	0.3277
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0081	0.2509	0.4197
Brugia malayi	hypothetical protein	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0903	0.1464
Onchocerca volvulus		0.0041	0.0903	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus granulosus	tm gpcr rhodopsin	0.0029	0.0387	0.0569
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0326	0.0464
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0045	0.0045
Onchocerca volvulus		0.0029	0.0387	0.1058
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0903	1
Onchocerca volvulus		0.0029	0.0387	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0345	0.0511
Schistosoma mansoni	biogenic amine receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0345	0.0511
Brugia malayi	sulfakinin receptor protein	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0029	0.0387	0.1058
Mycobacterium leprae	Probable lipase LipE	0.0041	0.0903	1
Echinococcus granulosus	allatostatin A receptor	0.0029	0.0387	0.0569
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0103	0.3403	0.5725
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Schistosoma mansoni	acetylcholinesterase	0.0028	0.0345	0.0496
Echinococcus granulosus	dro:myosuppressin receptor	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0028	0.0345	0.0319
Echinococcus granulosus	neuropeptide FF receptor 2	0.0029	0.0387	0.0569
Brugia malayi	RNA binding protein	0.0069	0.2045	0.3403
Brugia malayi	Serotonin receptor	0.0029	0.0387	0.0569
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0326	0.3201
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0029	0.0387	0.0569
Mycobacterium tuberculosis	Probable lipase LipE	0.0041	0.0903	0.0903
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0029	0.0387	0.0569
Brugia malayi	beta-lactamase family protein	0.0041	0.0903	0.145
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0345	0.0511
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2045	0.3403
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0029	0.0387	0.0569
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0903	0.0903
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0326	0.3277
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0326	0.3277
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0903	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0029	0.0387	0.0569
Brugia malayi	Carboxylesterase family protein	0.0028	0.0345	0.0496
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0029	0.0387	0.0569
Echinococcus granulosus	carboxylesterase 5A	0.0164	0.5903	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	hypothetical protein	0.0029	0.0387	0.0569
Echinococcus granulosus	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0041	0.0903	0.0903
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0326	0.048
Echinococcus multilocularis	g protein coupled receptor	0.0029	0.0387	0.0569
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0326	0.3277
Mycobacterium ulcerans	carboxylesterase, LipT	0.0028	0.0345	0.3491
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0903	0.1464
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5903	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0903	1
Echinococcus multilocularis	neuropeptide s receptor	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0029	0.0387	0.1058
Schistosoma mansoni	hypothetical protein	0.0029	0.0387	0.0569
Echinococcus granulosus	g protein coupled receptor	0.0029	0.0387	0.0569
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0029	0.0387	0.0569
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.3403	0.5725
Echinococcus granulosus	BC026374 protein S09 family	0.0028	0.0345	0.0496
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0029	0.0387	0.0569
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.2045	0.3414
Echinococcus multilocularis	g protein coupled receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	melatonin receptor type 1A	0.0029	0.0387	0.0584
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2045	0.3403
Schistosoma mansoni	opsin-like receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0028	0.0345	0.0319
Echinococcus multilocularis	orexin receptor type 2	0.0029	0.0387	0.0569
Brugia malayi	Carboxylesterase family protein	0.0028	0.0345	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Brugia malayi	beta-lactamase family protein	0.0041	0.0903	0.145
Echinococcus multilocularis	neuropeptide receptor	0.0029	0.0387	0.0569
Brugia malayi	amidase	0.0123	0.4243	0.7162
Onchocerca volvulus		0.0029	0.0387	0.1058
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0028	0.0345	0.0496
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0029	0.0387	0.0569
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0326	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0903	0.1464
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0903	1
Brugia malayi	neuropeptide F receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0345	0.0511
Echinococcus granulosus	acetylcholinesterase	0.0164	0.5903	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.4243	0.7162
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0029	0.0387	0.0569
Brugia malayi	putative neuropeptide receptor NPR1	0.0029	0.0387	0.0569
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0029	0.0387	0.0569
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.2045	0.3414
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Schistosoma mansoni	amine GPCR	0.0029	0.0387	0.0569
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2045	0.3403
Schistosoma mansoni	BC026374 protein (S09 family)	0.0028	0.0345	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0029	0.0387	0.0569
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0326	0.3277
Echinococcus granulosus	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Schistosoma mansoni	transcription factor LCR-F1	0.0081	0.2509	0.4197
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0029	0.0387	0.0569
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0345	0.0345
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0029	0.0387	0.1058
Entamoeba histolytica	hypothetical protein	0.0081	0.2509	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0029	0.0387	0.0569
Echinococcus granulosus	tm gpcr rhodopsin	0.0029	0.0387	0.0569
Schistosoma mansoni	myosin xvIII	0.0029	0.0387	0.0569
Echinococcus granulosus	7TM GPCR rhodopsin	0.0029	0.0387	0.0569
Brugia malayi	putative neuropeptide receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0029	0.0387	0.0569
Echinococcus multilocularis	neuroligin	0.0028	0.0345	0.0496
Echinococcus granulosus	sex peptide receptor	0.0029	0.0387	0.0569
Echinococcus granulosus	neuropeptide s receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Brugia malayi	Carboxylesterase family protein	0.0028	0.0345	0.0496
Onchocerca volvulus		0.0029	0.0387	0.1058
Schistosoma mansoni	biogenic amine receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0903	0.145
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0029	0.0387	0.0569
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0903	0.145
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0041	0.0903	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0029	0.0387	0.0569
Brugia malayi	hypothetical protein	0.0029	0.0387	0.0569
Schistosoma mansoni	neuropeptide receptor	0.0029	0.0387	0.0569
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0903	1
Echinococcus granulosus	G protein coupled receptor 139	0.0029	0.0387	0.0569
Echinococcus granulosus	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Brugia malayi	larval opioid receptor	0.0029	0.0387	0.0569
Brugia malayi	TAR-binding protein	0.0069	0.2045	0.3403
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0326	0.048
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0029	0.0387	0.1058
Schistosoma mansoni	amidase	0.0123	0.4243	0.7162
Brugia malayi	hypothetical protein	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0903	0.1464
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0055	0.0112
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0345	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0903	1
Schistosoma mansoni	hypothetical protein	0.0029	0.0387	0.0569
Brugia malayi	Dopamine receptor protein 2	0.0029	0.0387	0.0569
Echinococcus multilocularis	serotonin receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Echinococcus granulosus	tar DNA binding protein	0.0069	0.2045	0.3403
Echinococcus multilocularis	g protein coupled receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.5903	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0164	0.5903	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.4243	0.7162
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0345	0.0511
Schistosoma mansoni	adenoreceptor	0.0029	0.0387	0.0569
Echinococcus granulosus	g protein coupled receptor	0.0029	0.0387	0.0569
Brugia malayi	G protein-coupled receptor F59B2.13	0.0029	0.0387	0.0569
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0903	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	histamine h1 receptor	0.0029	0.0387	0.0569
Brugia malayi	hypothetical protein	0.0029	0.0387	0.0569
Schistosoma mansoni	amine GPCR	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0029	0.0387	0.1058
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0029	0.0387	0.0584
Echinococcus granulosus	g protein coupled receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0081	0.2509	0.4197
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.3403	0.5725
Loa Loa (eye worm)	G-protein coupled receptor	0.0029	0.0387	0.0584
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0029	0.0387	0.0569
Echinococcus granulosus	neuropeptide Y receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0029	0.0387	0.0569
Echinococcus granulosus	g-protein coupled receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0903	0.145
Echinococcus multilocularis	somatostatin receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0029	0.0387	0.0569
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0903	0.1464
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0326	0.1106
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0029	0.0387	0.0569
Onchocerca volvulus		0.0041	0.0903	1
Brugia malayi	hypothetical protein	0.0029	0.0387	0.0569
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0029	0.0387	0.0584
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0055	0.0016
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0029	0.0387	0.1058
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0055	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.0903	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0903	0.145
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0345	0.0511
Echinococcus multilocularis	neuropeptide receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0029	0.0387	0.0584
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus granulosus	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0055	0.5
Schistosoma mansoni	amine GPCR	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0028	0.0345	0.0345
Brugia malayi	beta-lactamase	0.0041	0.0903	0.145
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0055	0.5
Brugia malayi	G-protein coupled receptor	0.0029	0.0387	0.0569
Echinococcus granulosus	tm gpcr rhodopsin	0.0029	0.0387	0.0569
Echinococcus multilocularis	g-protein coupled receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	neuropeptides capa receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	carboxylesterase	0.0164	0.5903	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0903	0.1464
Echinococcus granulosus	neuropeptide receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0029	0.0387	0.0569
Brugia malayi	G protein-coupled receptor	0.0029	0.0387	0.0569
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0326	0.0464
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0029	0.0387	0.0569
Echinococcus granulosus	hypothetical protein	0.0029	0.0387	0.0569
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0345	0.0345
Brugia malayi	Carboxylesterase family protein	0.0028	0.0345	0.0496
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2045	0.3403
Schistosoma mansoni	biogenic amine receptor	0.0029	0.0387	0.0569
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0903	1
Leishmania major	hypothetical protein, conserved	0.0041	0.0903	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0903	0.1464
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0345	0.0511
Schistosoma mansoni	hypothetical protein	0.0029	0.0387	0.0569
Schistosoma mansoni	opsin-like receptor	0.0029	0.0387	0.0569
Brugia malayi	hypothetical protein	0.0029	0.0387	0.0569
Brugia malayi	RE15519p	0.0029	0.0387	0.0569
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0326	0.1106
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.2045	0.3403
Brugia malayi	Carboxylesterase family protein	0.0164	0.5903	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Brugia malayi	Dopamine receptor protein 1	0.0029	0.0387	0.0569
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.3403	0.5725
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0326	0.3277
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus multilocularis	carboxylesterase 5A	0.0164	0.5903	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0029	0.0387	0.0569
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0041	0.0903	0.0903
Brugia malayi	hypothetical protein	0.0081	0.2509	0.4197
Brugia malayi	hypothetical protein	0.0029	0.0387	0.0569
Brugia malayi	neuropeptide F receptor	0.0029	0.0387	0.0569
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0326	0.3277
Echinococcus multilocularis	para nitrobenzyl esterase	0.0028	0.0345	0.0496
Echinococcus granulosus	neuropeptides capa receptor	0.0029	0.0387	0.0569
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.3403	0.5725
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0028	0.0345	0.0496
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0029	0.0387	0.0569
Echinococcus granulosus	7tm_1 domain containing protein	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0326	0.048
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0029	0.0387	0.0569
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0029	0.0387	0.0569
Schistosoma mansoni	neuropeptide receptor	0.0029	0.0387	0.0569
Brugia malayi	hypothetical protein	0.0029	0.0387	0.0569
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0326	0.3201
Echinococcus granulosus	fmrfamide receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	neuropeptides capa receptor	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0584
Echinococcus multilocularis	serotonin receptor	0.0029	0.0387	0.0569
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0903	0.1464
Onchocerca volvulus		0.0028	0.0345	0.0319
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0326	0.0326
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2045	0.3403
Onchocerca volvulus		0.0028	0.0345	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0123	0.4243	0.7167
Schistosoma mansoni	neuropeptide F-like receptor	0.0029	0.0387	0.0569
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0903	0.0903
Echinococcus granulosus	rhodopsin orphan GPCR	0.0029	0.0387	0.0569
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0345	0.0511
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0345	0.0496
Onchocerca volvulus		0.0028	0.0345	0.0319
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0055	0.0112
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0055	0.0055
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0029	0.0387	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5903	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.0903	1
Echinococcus multilocularis	G protein coupled receptor 139	0.0029	0.0387	0.0569
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0903	0.145

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 250 nM	Inhibition of rat acetylcholinesterase (AChE)	ChEMBL.	9767635
IC50 (binding)	= 250 nM	Inhibition of rat acetylcholinesterase (AChE)	ChEMBL.	9767635
IC50 (binding)	= 250 nM	Inhibition of acetylcholinesterase (unknown origin)	ChEMBL.	No reference

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: CHEMBL128392
PubChem: 10575968

Bibliographic References

1 literature reference was 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 223532