TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 920.022 | Formula: C44H61N11O11
H donors: 10 H acceptors: 11 LogP: -3.69 Rotable bonds: 28
Rule of 5 violations (Lipinski): 4
SMILES: OCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccc(cc1)O)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N
InChi: 1S/C44H61N11O11/c45-29(10-4-18-48-44(46)47)40(62)55-21-7-13-35(55)42(64)54-20-5-11-33(54)38(60)49-24-36(58)50-30(22-26-8-2-1-3-9-26)37(59)52-32(25-56)41(63)53-19-6-12-34(53)39(61)51-31(43(65)66)23-27-14-16-28(57)17-15-27/h1-3,8-9,14-17,29-35,56-57H,4-7,10-13,18-25,45H2,(H,49,60)(H,50,58)(H,51,61)(H,52,59)(H,65,66)(H4,46,47,48)
InChiKey: HAPIGFDUIHNWAN-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.1059	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0498	0.0498
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.0237	0.0598
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0106	0.0779	0.0888
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.1059	1	1
Brugia malayi	jmjC domain containing protein	0.0058	0.0312	0.0312
Schistosoma mansoni	amine GPCR	0.1059	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0415	0.2008
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0031	0.0082
Echinococcus granulosus	biogenic amine 5HT receptor	0.1059	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0948	0.0948
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0106	0.0779	0.0888
Schistosoma mansoni	adenoreceptor	0.1059	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0415	0.2008
Echinococcus granulosus	neuropeptide FF receptor 2	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0498	0.0498
Brugia malayi	GnHR receptor homolog	0.1059	1	1
Schistosoma mansoni	amine GPCR	0.1059	1	1
Echinococcus multilocularis	fmrfamide receptor	0.1059	1	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.1059	1	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.1059	1	1
Brugia malayi	G protein-coupled receptor	0.1059	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Brugia malayi	G-protein coupled receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0661	0.0661
Schistosoma mansoni	opsin-like receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0139	0.1093	0.107
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0058	0.0312	0.0277
Schistosoma mansoni	histamine h1 receptor	0.1059	1	1
Echinococcus granulosus	neuropeptide Y receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0124	0.0948	0.0926
Echinococcus granulosus	biogenic amine 5HT receptor	0.1059	1	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.1059	1	1
Onchocerca volvulus		0.1059	1	1
Schistosoma mansoni	myosin xvIII	0.1059	1	1
Onchocerca volvulus	Matrilysin homolog	0.0171	0.1408	0.1371
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus granulosus	somatostatin receptor	0.1059	1	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.0237	0.0237
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.0277	0.0243
Onchocerca volvulus		0.1059	1	1
Onchocerca volvulus		0.1059	1	1
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0091	0.0632	0.0632
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0031	0.0082
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.1059	1	1
Onchocerca volvulus		0.1059	1	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.0704	0.0671
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0202	1
Schistosoma mansoni	chromobox protein	0.0069	0.0415	0.0381
Schistosoma mansoni	neuropeptide receptor	0.1059	1	1
Onchocerca volvulus		0.011	0.081	0.0771
Brugia malayi	hypothetical protein	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0244	0.0244
Echinococcus multilocularis	rhodopsin orphan GPCR	0.1059	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0787	0.3874
Schistosoma mansoni	neuropeptide receptor	0.1059	1	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.1059	1	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.0237	0.0598
Onchocerca volvulus		0.1059	1	1
Brugia malayi	Dopamine receptor protein 2	0.1059	1	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.0312	0.0277
Brugia malayi	Serotonin receptor	0.1059	1	1
Schistosoma mansoni	opsin-like receptor	0.1059	1	1
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0415	0.0381
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0123	0.0545
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.0237	0.0598
Onchocerca volvulus		0.1059	1	1
Schistosoma mansoni	hypothetical protein	0.004	0.0139	0.0104
Schistosoma mansoni	hypothetical protein	0.011	0.081	0.0778
Echinococcus multilocularis	neuropeptide receptor A26	0.1059	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.1059	1	1
Echinococcus multilocularis	neuropeptide receptor	0.1059	1	1
Onchocerca volvulus		0.1059	1	1
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0031	0.5
Echinococcus granulosus	S formylglutathione hydrolase	0.0035	0.0093	0.0069
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0202	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0107	0.0787	0.0787
Schistosoma mansoni	hypothetical protein	0.1059	1	1
Brugia malayi	AKH receptor	0.1059	1	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.0787	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.069	0.8709
Loa Loa (eye worm)	hypothetical protein	0.0233	0.2006	0.2006
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.1059	1	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.0237	0.0598
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.1059	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0237	0.0202
Echinococcus multilocularis	g-protein coupled receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.1059	1	1
Brugia malayi	putative neuropeptide receptor NPR1	0.1059	1	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.069	0.0666
Mycobacterium ulcerans	secreted antigen 85-C FbpC	0.0834	0.7818	1
Leishmania major	ATP-dependent phosphofructokinase	0.0107	0.0787	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.1059	1	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.1059	1	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.0277	0.0253
Echinococcus granulosus	expressed conserved protein	0.0091	0.0633	0.0609
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.1059	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0031	0.0082
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0202	0.0202
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.033	0.0306
Echinococcus granulosus	tachykinin peptides receptor 99D	0.1059	1	1
Brugia malayi	Thioredoxin reductase	0.0047	0.0202	0.0202
Echinococcus multilocularis	sex peptide receptor	0.1059	1	1
Plasmodium vivax	SET domain protein, putative	0.0029	0.0035	0.0271
Brugia malayi	hypothetical protein	0.1059	1	1
Mycobacterium tuberculosis	Probable reductase	0.0106	0.0779	0.0888
Trypanosoma brucei	protein kinase, putative	0.005	0.0237	0.0598
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus granulosus	neuropeptide receptor A26	0.1059	1	1
Onchocerca volvulus		0.1059	1	1
Echinococcus multilocularis	serotonin receptor	0.1059	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.1059	1	1
Schistosoma mansoni	amine GPCR	0.1059	1	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.1059	1	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0154	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0035	0.0035
Brugia malayi	G protein-coupled receptor F59B2.13	0.1059	1	1
Onchocerca volvulus		0.0048	0.0211	0.0169
Echinococcus granulosus	rhodopsin orphan GPCR	0.1059	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.033	0.0295
Mycobacterium tuberculosis	Probable dehydrogenase	0.0106	0.0779	0.0888
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0202	1
Brugia malayi	Matrixin family protein	0.0077	0.0498	0.0498
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0202	0.0177
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.0237	0.0202
Brugia malayi	Matrixin family protein	0.0077	0.0498	0.0498
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.1059	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.1059	1	1
Echinococcus granulosus	allatostatin A receptor	0.1059	1	1
Echinococcus granulosus	neuropeptide Y receptor	0.1059	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.033	0.0306
Echinococcus granulosus	6 phosphofructokinase	0.0107	0.0787	0.0764
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.2006	0.1978
Onchocerca volvulus		0.1059	1	1
Echinococcus multilocularis	fmrfamide receptor	0.1059	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1059	1	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0118	0.0894	0.1037
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0124	0.0948	0.0916
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.033	0.0306
Brugia malayi	follicle stimulating hormone receptor	0.1059	1	1
Brugia malayi	G-protein coupled receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0031	0.0082
Schistosoma mansoni	amine GPCR	0.1059	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0084	0.0566	0.0532
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0202	0.5715
Echinococcus multilocularis	allatostatin A receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Brugia malayi	hypothetical protein	0.1059	1	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.1059	1	1
Brugia malayi	6-phosphofructokinase	0.0107	0.0787	0.0787
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	hypothetical protein	0.1059	1	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.1059	1	1
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0031	0.5
Entamoeba histolytica	endo-1,4-beta-xylanase, putative	0.0035	0.0093	0.0828
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0107	0.0787	0.0898
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.0237	0.0598
Onchocerca volvulus	Matrilysin homolog	0.0077	0.0498	0.0457
Brugia malayi	Matrixin family protein	0.0077	0.0498	0.0498
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0101	0.0723	0.0723
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1059	1	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.069	0.069
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0123	0.0545
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0094	0.0661	0.0661
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0154	0.0698
Brugia malayi	Esterase D	0.0035	0.0093	0.0093
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0107	0.0787	0.0898
Brugia malayi	ORL1-like opioid receptor	0.1059	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0787	0.3874
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0031	0.0082
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	hypothetical protein	0.004	0.0139	0.0104
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	lipoxygenase	0.0054	0.0277	0.0243
Echinococcus multilocularis	serotonin receptor	0.1059	1	1
Onchocerca volvulus		0.0041	0.0144	0.0102
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.1059	1	1
Brugia malayi	hypothetical protein	0.1059	1	1
Mycobacterium leprae	PROBABLE HYDROLASE	0.0094	0.0661	0.0734
Echinococcus granulosus	g-protein coupled receptor	0.1059	1	1
Echinococcus granulosus	neuropeptide s receptor	0.1059	1	1
Brugia malayi	Matrixin family protein	0.0077	0.0498	0.0498
Brugia malayi	Heterochromatin protein 1	0.0069	0.0415	0.0415
Brugia malayi	MAP kinase sur-1	0.005	0.0237	0.0237
Echinococcus multilocularis	g protein coupled receptor	0.1059	1	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0118	0.0894	0.1037
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.1059	1	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.1059	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus multilocularis	neuropeptides capa receptor	0.1059	1	1
Brugia malayi	Pre-SET motif family protein	0.0205	0.1736	0.1736
Loa Loa (eye worm)	neuropeptide F receptor	0.1059	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.1059	1	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0114	0.0857	0.0824
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.1059	1	1
Echinococcus multilocularis	G protein coupled receptor 139	0.1059	1	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.0312	0.0277
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0058	0.0312	0.0287
Brugia malayi	RE15519p	0.1059	1	1
Mycobacterium leprae	SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C)	0.0834	0.7818	1
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.2006	0.1986
Mycobacterium ulcerans	hydrolase	0.0094	0.0661	0.0734
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0031	0.0082
Brugia malayi	CHE-14 protein	0.0042	0.0154	0.0154
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0029	0.0031	0.0082
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0202	0.014
Onchocerca volvulus		0.1059	1	1
Echinococcus multilocularis	expressed conserved protein	0.0091	0.0633	0.0599
Schistosoma mansoni	opsin-like receptor	0.1059	1	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.1059	1	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.1059	1	1
Echinococcus granulosus	g protein coupled receptor	0.1059	1	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.0415	0.0415
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0094	0.0661	0.0734
Echinococcus multilocularis	rhodopsin orphan GPCR	0.1059	1	1
Brugia malayi	Serotonin receptor	0.1059	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.1059	1	1
Echinococcus granulosus	sex peptide receptor	0.1059	1	1
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0154	0.0129
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.1059	1	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.1059	1	1
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0281	0.2467	0.2441
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.1059	1	1
Loa Loa (eye worm)	neuropeptide F receptor	0.1059	1	1
Echinococcus granulosus	neuropeptide receptor	0.1059	1	1
Echinococcus multilocularis	somatostatin receptor	0.1059	1	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.1059	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0787	0.3874
Schistosoma mansoni	biogenic amine receptor	0.1059	1	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0049	0.0225	0.019
Brugia malayi	Hemopexin family protein	0.011	0.081	0.081
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.0237	0.6885
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0084	0.0566	0.0532
Brugia malayi	Melatonin receptor type 1A	0.1059	1	1
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0211	0.0176
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.033	0.2188
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.033	0.0306
Echinococcus multilocularis	lysine specific demethylase 5A	0.0058	0.0312	0.0277
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.1059	1	1
Onchocerca volvulus		0.1059	1	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.0237	0.0598
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.1059	1	1
Echinococcus multilocularis	neuropeptides capa receptor	0.1059	1	1
Brugia malayi	metabotropic glutamate receptor type 2	0.0049	0.0225	0.0225
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.033	0.0295
Schistosoma mansoni	neuropeptide receptor	0.1059	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0118	0.0894	0.1037
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0222	0.0188
Brugia malayi	hypothetical protein	0.1059	1	1
Loa Loa (eye worm)	matrix metalloproteinase	0.0077	0.0498	0.0498
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Onchocerca volvulus		0.1059	1	1
Echinococcus granulosus	G protein coupled receptor 139	0.1059	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.1059	1	1
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0415	0.0381
Mycobacterium tuberculosis	Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C)	0.0834	0.7818	1
Brugia malayi	Matrixin family protein	0.0187	0.1557	0.1557
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Brugia malayi	jmjC domain containing protein	0.0058	0.0312	0.0312
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0106	0.0779	0.0888
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.0312	0.0312
Brugia malayi	larval opioid receptor	0.1059	1	1
Schistosoma mansoni	hypothetical protein	0.004	0.0139	0.0104
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.1059	1	1
Echinococcus multilocularis	g protein coupled receptor	0.1059	1	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.1059	1	1
Onchocerca volvulus		0.0234	0.201	0.1976
Brugia malayi	sulfakinin receptor protein	0.1059	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0151	0.0687
Echinococcus granulosus	serotonin receptor	0.1059	1	1
Echinococcus multilocularis	g protein coupled receptor	0.1059	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0237	0.1114
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.1059	1	1
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0183	0.1525	0.1495
Schistosoma mansoni	hypothetical protein	0.1059	1	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0154	0.0119
Schistosoma mansoni	neuropeptide F-like receptor	0.1059	1	1
Echinococcus granulosus	fmrfamide receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0222	0.0222
Onchocerca volvulus		0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.1059	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.1059	1	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.069	0.0657
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.1059	1	1
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.0787	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.1059	1	1
Brugia malayi	hypothetical protein	0.1059	1	1
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0107	0.0787	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.1059	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.1059	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.0237	0.0598
Schistosoma mansoni	patched 1	0.0042	0.0154	0.0119
Loa Loa (eye worm)	TYRA-2 protein	0.1059	1	1
Brugia malayi	Pre-SET motif family protein	0.0029	0.0035	0.0035
Echinococcus multilocularis	protein patched	0.0042	0.0154	0.0119
Brugia malayi	putative neuropeptide receptor	0.1059	1	1
Loa Loa (eye worm)	matrixin family protein	0.0187	0.1557	0.1557
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.0787	1
Schistosoma mansoni	hypothetical protein	0.0048	0.0211	0.0176
Echinococcus granulosus	dro:myosuppressin receptor	0.1059	1	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0107	0.0787	0.0787
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.1059	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.1059	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Onchocerca volvulus		0.1059	1	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.1059	1	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.0237	0.0212
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0106	0.0779	0.0888
Brugia malayi	glutathione reductase	0.0047	0.0202	0.0202
Echinococcus multilocularis	orexin receptor type 2	0.1059	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.1059	1	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0139	0.1093	0.1061
Brugia malayi	hypothetical protein	0.0233	0.2006	0.2006
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0106	0.0779	0.0888
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0077	0.0498	0.0464
Echinococcus granulosus	g protein coupled receptor	0.1059	1	1
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.0237	1
Loa Loa (eye worm)	phosphofructokinase	0.0107	0.0787	0.0787
Echinococcus granulosus	7tm_1 domain containing protein	0.1059	1	1
Brugia malayi	hypothetical protein	0.1059	1	1
Brugia malayi	hypothetical protein	0.1059	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0211	0.0211
Brugia malayi	hypothetical protein	0.1059	1	1
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0281	0.2467	0.2449
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.1059	1	1
Echinococcus multilocularis	6 phosphofructokinase	0.0107	0.0787	0.0755
Loa Loa (eye worm)	glutamate receptor	0.0101	0.0723	0.0723
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0123	0.0081
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0211	0.0176
Echinococcus granulosus	neuropeptide receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0123	0.0123
Echinococcus multilocularis	tumor protein p63	0.0333	0.2973	0.2949
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.033	0.0306
Loa Loa (eye worm)	esterase D	0.0035	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0498	0.0498
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus granulosus	chromobox protein 1	0.0069	0.0415	0.0391
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.1059	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.033	0.0295
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.1059	1	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.1059	1	1
Echinococcus granulosus	g protein coupled receptor	0.1059	1	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.1059	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.1059	1	1
Schistosoma mansoni	hypothetical protein	0.1059	1	1
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.0237	0.0212
Schistosoma mansoni	amine GPCR	0.1059	1	1
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.1059	1	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.1059	1	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.1059	1	1
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0107	0.0787	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.1059	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0237	0.1114
Brugia malayi	Dopamine receptor protein 1	0.1059	1	1
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.033	1
Echinococcus granulosus	chromobox protein 1	0.0069	0.0415	0.0391
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.1059	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0118	0.0894	0.1037
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0787	0.3874
Brugia malayi	chromobox protein homolog 3	0.0038	0.0123	0.0123
Echinococcus multilocularis	rhodopsin orphan GPCR	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.1059	1	1
Brugia malayi	Dopamine receptor	0.1059	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0041	0.0144	0.0109
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0035	0.0155
Schistosoma mansoni	chromobox protein	0.0069	0.0415	0.0381
Schistosoma mansoni	growth hormone secretagogue receptor	0.1059	1	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.1059	1	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0154	0.0154
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0084	0.0566	0.0542
Echinococcus granulosus	7TM GPCR rhodopsin	0.1059	1	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0799	0.7485	0.7476
Echinococcus multilocularis	G-protein coupled receptor, putative	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.0313	0.2776	0.2776
Echinococcus granulosus	tumor protein p63	0.0333	0.2973	0.2956
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0035	0.0011
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.1059	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1059	1	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.1059	1	1
Brugia malayi	phosphofructokinase	0.0107	0.0787	0.0787
Brugia malayi	6-phosphofructokinase	0.0107	0.0787	0.0787
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.1059	1	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.0237	0.0202
Plasmodium falciparum	glutathione reductase	0.0047	0.0202	1
Brugia malayi	neuropeptide F receptor	0.1059	1	1
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0171	0.1408	0.1371
Loa Loa (eye worm)	matrixin family protein	0.0171	0.1408	0.1408
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Onchocerca volvulus		0.1059	1	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0107	0.0787	1
Onchocerca volvulus		0.1059	1	1
Onchocerca volvulus		0.0077	0.0498	0.0457
Echinococcus multilocularis	neuropeptide Y receptor	0.1059	1	1
Onchocerca volvulus		0.1059	1	1
Echinococcus multilocularis	neuropeptide receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0154	0.0154
Echinococcus granulosus	peptide allatostatin:somatostatin	0.1059	1	1
Schistosoma mansoni	jumonji domain containing protein	0.0058	0.0312	0.0277
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0237	0.1114
Schistosoma mansoni	hypothetical protein	0.004	0.0139	0.0104
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0151	0.0109
Trichomonas vaginalis	set domain proteins, putative	0.0234	0.201	1
Mycobacterium ulcerans	6-phosphofructokinase	0.0107	0.0787	0.0898
Echinococcus granulosus	lysine specific demethylase 5A	0.0058	0.0312	0.0287
Echinococcus granulosus	orexin receptor type 2	0.1059	1	1
Echinococcus multilocularis	S formylglutathione hydrolase	0.0035	0.0093	0.0058
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.1736	0.1736
Onchocerca volvulus		0.0049	0.0222	0.018
Echinococcus granulosus	tm gpcr rhodopsin	0.1059	1	1
Echinococcus granulosus	hypothetical protein	0.1059	1	1
Schistosoma mansoni	6-phosphofructokinase	0.0107	0.0787	0.0755
Loa Loa (eye worm)	hypothetical protein	0.1059	1	1
Brugia malayi	neuropeptide F receptor	0.1059	1	1
Loa Loa (eye worm)	glutamate receptor	0.004	0.0133	0.0133
Schistosoma mansoni	biogenic amine receptor	0.1059	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0151	0.0687
Schistosoma mansoni	6-phosphofructokinase	0.0107	0.0787	0.0755
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0202	0.0167
Brugia malayi	hypothetical protein	0.012	0.0912	0.0912
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0237	0.1114
Schistosoma mansoni	neuropeptide receptor	0.1059	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.1059	1	1
Schistosoma mansoni	biogenic amine receptor	0.1059	1	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.069	0.069
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.1059	1	1
Echinococcus multilocularis	neuropeptide s receptor	0.1059	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Alpha E (functional)	= 1	Intrinsic activity of the compound was determined	ChEMBL.	6118437
pD (functional)	= 4.39 M	In vitro 50 % Maximal response in rabbit aorta expressing B1 receptor	ChEMBL.	6118437
Relative affinity (functional)	= 0.2 %	Percent agonistic activity in rabbit aorta expressing B1 receptor relative to bradykinin	ChEMBL.	6118437

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: 143789

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 42621