TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 473.434 | Formula: C25H19N3O7
H donors: 1 H acceptors: 6 LogP: 3.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)N1O[C@H]2[C@@H]([C@@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)N(C2=O)c1ccc(cc1)C(=O)O
InChi: 1S/C25H19N3O7/c1-14-2-8-18(9-3-14)27-21(15-4-12-19(13-5-15)28(33)34)20-22(35-27)24(30)26(23(20)29)17-10-6-16(7-11-17)25(31)32/h2-13,20-22H,1H3,(H,31,32)/t20-,21+,22+/m1/s1
InChiKey: LJRHRQJKHBSLBJ-FSSWDIPSSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Acetylcholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	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 multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
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
Echinococcus multilocularis	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	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
Brugia malayi	Carboxylesterase family protein	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	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875

By sequence similarity to non orthologous known druggable targets

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0036	0.0084
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	g-protein coupled receptor	0.0049	0.0152	0.0044
Brugia malayi	Serotonin receptor	0.0049	0.0152	0.0117
Echinococcus granulosus	Niemann Pick C1 protein	0.0161	0.0734	0.0632
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0049	0.0152	0.0117
Schistosoma mansoni	amine GPCR	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0482	0.0482
Brugia malayi	putative neuropeptide receptor NPR1	0.0049	0.0152	0.0117
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0049	0.0152	0.0152
Echinococcus granulosus	7tm_1 domain containing protein	0.0049	0.0152	0.0044
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0049	0.0152	0.0117
Onchocerca volvulus		0.0049	0.0152	0.0117
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0167	0.0167
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0049	0.0152	0.0044
Echinococcus multilocularis	serotonin receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	neuropeptide receptor	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0049	0.0152	0.0044
Entamoeba histolytica	hypothetical protein	0.0041	0.0109	0.0074
Echinococcus granulosus	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Brugia malayi	Carboxylesterase family protein	0.0082	0.0321	0.0286
Brugia malayi	sulfakinin receptor protein	0.0049	0.0152	0.0117
Echinococcus granulosus	G protein coupled receptor 139	0.0049	0.0152	0.0044
Echinococcus granulosus	neuropeptide receptor	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0036	0.0036
Brugia malayi	Melatonin receptor type 1A	0.0049	0.0152	0.0117
Schistosoma mansoni	glycogen phosphorylase	0.1938	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Echinococcus granulosus	tm gpcr rhodopsin	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0321	0.0321
Echinococcus granulosus	orexin receptor type 2	0.0049	0.0152	0.0044
Entamoeba histolytica	glycogenphosphorylase, putative	0.0838	0.4264	0.4243
Echinococcus granulosus	Glycosyl transferase family 35	0.1938	1	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0049	0.0152	0.0117
Echinococcus multilocularis	glycogen phosphorylase	0.1938	1	1
Onchocerca volvulus	Glycogen phosphorylase homolog	0.1938	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0036	0.0036
Entamoeba histolytica	glycogen phosphorylase, putative	0.1938	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	7TM GPCR rhodopsin	0.0049	0.0152	0.0044
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0167	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus multilocularis	neuropeptides capa receptor	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0049	0.0152	0.0044
Entamoeba histolytica	hypothetical protein	0.0041	0.0109	0.0074
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	patched 1	0.0048	0.0146	0.0038
Loa Loa (eye worm)	neuropeptide F receptor	0.0049	0.0152	0.0152
Schistosoma mansoni	glycogen phosphorylase	0.1938	1	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Echinococcus granulosus	sterol regulatory element binding protein	0.0048	0.0146	0.0038
Schistosoma mansoni	neuropeptide receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0152	0.0044
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0049	0.0152	0.0044
Echinococcus multilocularis	carboxylesterase 5A	0.0082	0.0321	0.0214
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0167	0.0059
Brugia malayi	hypothetical protein	0.0049	0.0152	0.0117
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	g-protein coupled receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0321	0.0321
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	expressed conserved protein	0.0106	0.0446	0.0341
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Schistosoma mansoni	amine GPCR	0.0049	0.0152	0.0044
Loa Loa (eye worm)	carboxylesterase	0.0082	0.0321	0.0321
Echinococcus granulosus	neuropeptide receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0152	0.0044
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0036	0.0084
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0049	0.0152	0.0044
Echinococcus granulosus	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0167	0.0059
Schistosoma mansoni	growth hormone secretagogue receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	Niemann Pick C1 protein	0.0113	0.0482	0.0377
Brugia malayi	hypothetical protein	0.0049	0.0152	0.0117
Echinococcus granulosus	neuropeptide Y receptor	0.0049	0.0152	0.0044
Brugia malayi	larval opioid receptor	0.0049	0.0152	0.0117
Onchocerca volvulus		0.0049	0.0152	0.0117
Onchocerca volvulus		0.0049	0.0152	0.0117
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0048	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	g protein coupled receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	neuropeptide f receptor 76f	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Echinococcus granulosus	g protein coupled receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	somatostatin receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	glycogen phosphorylase	0.1938	1	1
Entamoeba histolytica	hypothetical protein	0.0041	0.0109	0.0074
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0049	0.0152	0.0152
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0036	0.5
Brugia malayi	hypothetical protein	0.0041	0.0109	0.0074
Brugia malayi	hypothetical protein	0.0056	0.0188	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0036	0.0084
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0049	0.0152	0.0044
Brugia malayi	AKH receptor	0.0049	0.0152	0.0117
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0036	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	hypothetical protein	0.0047	0.0137	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Brugia malayi	hypothetical protein	0.0049	0.0152	0.0117
Echinococcus granulosus	sex peptide receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	protein dispatched 1	0.0055	0.0182	0.0074
Brugia malayi	G protein-coupled receptor	0.0049	0.0152	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0167	0.0059
Echinococcus multilocularis	neuropeptide receptor A26	0.0049	0.0152	0.0044
Brugia malayi	Dopamine receptor protein 2	0.0049	0.0152	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus multilocularis	sex peptide receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	neuropeptide receptor A26	0.0049	0.0152	0.0044
Echinococcus multilocularis	Niemann Pick C1 protein	0.0113	0.0482	0.0377
Echinococcus granulosus	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Echinococcus multilocularis	g protein coupled receptor	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0049	0.0152	0.0152
Loa Loa (eye worm)	neuropeptide F receptor	0.0049	0.0152	0.0152
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Brugia malayi	hypothetical protein	0.0049	0.0152	0.0117
Echinococcus multilocularis	sterol regulatory element binding protein	0.0048	0.0146	0.0038
Schistosoma mansoni	eyes absent homolog	0.0056	0.0188	0.008
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0203	0.0203
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0152	0.0044
Brugia malayi	follicle stimulating hormone receptor	0.0049	0.0152	0.0117
Schistosoma mansoni	amine GPCR	0.0049	0.0152	0.0044
Schistosoma mansoni	adenoreceptor	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0036	0.0036
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0167	0.0059
Echinococcus granulosus	acetylcholinesterase	0.0082	0.0321	0.0214
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0049	0.0152	0.0044
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0049	0.0152	0.0044
Entamoeba histolytica	glycogen phosphorylase, putative	0.0838	0.4264	0.4243
Echinococcus multilocularis	Niemann Pick C1 protein	0.0161	0.0734	0.0632
Schistosoma mansoni	hypothetical protein	0.0047	0.0137	0.0029
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	biogenic amine receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	Protein patched homolog 1	0.0048	0.0146	0.0038
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0049	0.0152	0.0044
Schistosoma mansoni	amine GPCR	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Loa Loa (eye worm)	melatonin receptor type 1A	0.0049	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus multilocularis	neuropeptide Y receptor	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Schistosoma mansoni	opsin-like receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	tm gpcr rhodopsin	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Brugia malayi	Dopamine receptor	0.0049	0.0152	0.0117
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0049	0.0152	0.0117
Entamoeba histolytica	hypothetical protein	0.0041	0.0109	0.0074
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	glycogen phosphorylase	0.0838	0.4264	0.42
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0188	0.0188
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.0321	0.0214
Echinococcus granulosus	g protein coupled receptor	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0049	0.0152	0.0044
Echinococcus multilocularis	orexin receptor type 2	0.0049	0.0152	0.0044
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0049	0.0152	0.0117
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0113	0.0482	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	allatostatin A receptor	0.0049	0.0152	0.0044
Brugia malayi	neuropeptide F receptor	0.0049	0.0152	0.0117
Echinococcus multilocularis	neuropeptide receptor	0.0049	0.0152	0.0044
Brugia malayi	hypothetical protein	0.0049	0.0152	0.0117
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0036	0.0084
Echinococcus multilocularis	neuropeptide Y receptor	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Echinococcus granulosus	dro:myosuppressin receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0049	0.0152	0.0044
Entamoeba histolytica	glycogen phosphorylase, putative	0.0838	0.4264	0.4243
Brugia malayi	hypothetical protein	0.0049	0.0152	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Brugia malayi	hypothetical protein	0.0049	0.0152	0.0117
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0838	0.4264	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0152	0.0044
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0036	0.0084
Echinococcus granulosus	tm gpcr rhodopsin	0.0049	0.0152	0.0044
Brugia malayi	Serotonin receptor	0.0049	0.0152	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0146	0.0146
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0049	0.0152	0.0152
Brugia malayi	hypothetical protein	0.0049	0.0152	0.0117
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0049	0.0152	0.0044
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0152	0.0044
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0928	0.4735	0.4677
Echinococcus multilocularis	neuropeptides capa receptor	0.0049	0.0152	0.0044
Entamoeba histolytica	glycogen phosphorylase, putative	0.1938	1	1
Schistosoma mansoni	hypothetical protein	0.0049	0.0152	0.0044
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0049	0.0152	0.0044
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0049	0.0152	0.0152
Echinococcus multilocularis	neuropeptide s receptor	0.0049	0.0152	0.0044
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0049	0.0152	0.0117
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	serotonin receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Loa Loa (eye worm)	TYRA-2 protein	0.0049	0.0152	0.0152
Echinococcus multilocularis	somatostatin receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0036	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0049	0.0152	0.0117
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0036	0.0084
Echinococcus multilocularis	g protein coupled receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Schistosoma mansoni	hypothetical protein	0.0047	0.0137	0.0029
Echinococcus granulosus	neuropeptide s receptor	0.0049	0.0152	0.0044
Giardia lamblia	Glycogen phosphorylase	0.1938	1	0.5
Brugia malayi	Niemann-Pick C1 protein precursor	0.0113	0.0482	0.0448
Schistosoma mansoni	hypothetical protein	0.0047	0.0137	0.0029
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	g protein coupled receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	myosin xvIII	0.0049	0.0152	0.0044
Schistosoma mansoni	neuropeptide F-like receptor	0.0049	0.0152	0.0044
Brugia malayi	Carboxylesterase family protein	0.0082	0.0321	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0152	0.0044
Loa Loa (eye worm)	G-protein coupled receptor	0.0049	0.0152	0.0152
Echinococcus granulosus	biogenic amine 5HT receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	neuropeptide receptor	0.0049	0.0152	0.0044
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0838	0.4264	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	acetylcholinesterase	0.0082	0.0321	0.0214
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Onchocerca volvulus		0.0049	0.0152	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0167	0.0059
Echinococcus multilocularis	fmrfamide receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	neuropeptide F-like receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Schistosoma mansoni	hypothetical protein	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus multilocularis	Glycosyl transferase, family 35	0.1938	1	1
Echinococcus multilocularis	allatostatin A receptor	0.0049	0.0152	0.0044
Chlamydia trachomatis	glycogen phosphorylase	0.1938	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Echinococcus granulosus	neuropeptides capa receptor	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	neuropeptide Y receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	serotonin receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	biogenic amine 5HT receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	0.0321	0.0321
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0049	0.0152	0.0044
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0036	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus multilocularis	fmrfamide receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	glycogen phosphorylase	0.1938	1	1
Schistosoma mansoni	biogenic amine receptor	0.0049	0.0152	0.0044
Brugia malayi	G-protein coupled receptor	0.0049	0.0152	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0188	0.0188
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0049	0.0152	0.0044
Brugia malayi	RE15519p	0.0049	0.0152	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Onchocerca volvulus		0.0049	0.0152	0.0117
Schistosoma mansoni	neuropeptide receptor	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	0.0321	0.0214
Schistosoma mansoni	hypothetical protein	0.0049	0.0152	0.0044
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0152	0.0044
Schistosoma mansoni	amine GPCR	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	glycogen phosphorylase	0.1938	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0049	0.0152	0.0117
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0049	0.0152	0.0044
Loa Loa (eye worm)	G-protein coupled receptor	0.0049	0.0152	0.0152
Plasmodium falciparum	acyl-CoA synthetase	0.002	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0049	0.0152	0.0044
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Brugia malayi	CHE-14 protein	0.0048	0.0146	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0049	0.0152	0.0044
Echinococcus granulosus	neuropeptide FF receptor 2	0.0049	0.0152	0.0044
Echinococcus multilocularis	G protein coupled receptor 139	0.0049	0.0152	0.0044
Echinococcus granulosus	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0036	0.0084
Schistosoma mansoni	hypothetical protein	0.0049	0.0152	0.0044
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0167	0.0132
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0152	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Brugia malayi	G protein-coupled receptor F59B2.13	0.0049	0.0152	0.0117
Echinococcus multilocularis	expressed conserved protein	0.0106	0.0446	0.0341
Echinococcus granulosus	carboxylesterase 5A	0.0082	0.0321	0.0214
Echinococcus multilocularis	dro:myosuppressin receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0049	0.0152	0.0044
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.0321	0.0214
Trichomonas vaginalis	glycogen phosphorylase, putative	0.1938	1	1
Brugia malayi	Dopamine receptor protein 1	0.0049	0.0152	0.0117
Schistosoma mansoni	neuropeptide receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	biogenic amine receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	histamine h1 receptor	0.0049	0.0152	0.0044
Onchocerca volvulus		0.0049	0.0152	0.0117
Loa Loa (eye worm)	glycogen phosphorylase	0.1938	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0049	0.0152	0.0044
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0152	0.0152
Schistosoma mansoni	opsin-like receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0049	0.0152	0.0044
Echinococcus granulosus	neuropeptides capa receptor	0.0049	0.0152	0.0044
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0114	0.0491	0.0386
Trichomonas vaginalis	glycogen phosphorylase, putative	0.1938	1	1
Echinococcus granulosus	fmrfamide receptor	0.0049	0.0152	0.0044
Echinococcus multilocularis	protein patched	0.0048	0.0146	0.0038
Brugia malayi	hypothetical protein	0.0049	0.0152	0.0117
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0049	0.0152	0.0044
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0036	0.0084
Brugia malayi	neuropeptide F receptor	0.0049	0.0152	0.0117
Brugia malayi	GnHR receptor homolog	0.0049	0.0152	0.0117
Brugia malayi	hypothetical protein	0.0049	0.0152	0.0117
Schistosoma mansoni	opsin-like receptor	0.0049	0.0152	0.0044
Brugia malayi	ORL1-like opioid receptor	0.0049	0.0152	0.0117
Echinococcus granulosus	hypothetical protein	0.0049	0.0152	0.0044
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0167	0.0059
Brugia malayi	G-protein coupled receptor	0.0049	0.0152	0.0117
Brugia malayi	putative neuropeptide receptor	0.0049	0.0152	0.0117

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 23.4 nM	Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method	ChEMBL.	22172310

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.

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External resources for this compound

ChEMBL: CHEMBL2069775

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1669547