TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 399.487 | Formula: C21H29N5O3
H donors: 2 H acceptors: 2 LogP: 2.35 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCN(C(=O)c1cc(OCCCON=C(N)N)cc(c1)C)Cc1ccccn1
InChi: 1S/C21H29N5O3/c1-3-9-26(15-18-7-4-5-8-24-18)20(27)17-12-16(2)13-19(14-17)28-10-6-11-29-25-21(22)23/h4-5,7-8,12-14H,3,6,9-11,15H2,1-2H3,(H4,22,23,25)
InChiKey: OEAXQWLDGYTGNU-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	coagulation factor II (thrombin)	Starlite/ChEMBL	References

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
Brugia malayi	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	7TM GPCR rhodopsin	0.0066	0.031	0.031
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0066	0.031	0.031
Loa Loa (eye worm)	hypothetical protein	0.0859	0.7054	0.7051
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	rhodopsin orphan GPCR	0.0066	0.031	0.031
Schistosoma mansoni	protein kinase	0.0132	0.0874	0.0865
Echinococcus granulosus	neuropeptide receptor	0.0066	0.031	0.031
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0066	0.031	0.0301
Schistosoma mansoni	hypothetical protein	0.0066	0.031	0.0301
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0066	0.031	0.0301
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0973	0.8017	0.8015
Trypanosoma cruzi	aurora B kinase, putative	0.0132	0.0874	0.5
Plasmodium vivax	amine transporter, putative	0.0205	0.1493	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0066	0.031	0.031
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	neuropeptide s receptor	0.0066	0.031	0.031
Echinococcus multilocularis	g protein coupled receptor	0.0066	0.031	0.0301
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1493	0.1485
Schistosoma mansoni	neuropeptide receptor	0.0066	0.031	0.0301
Echinococcus granulosus	rhodopsin orphan GPCR	0.0066	0.031	0.031
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Schistosoma mansoni	neuropeptide F-like receptor	0.0066	0.031	0.0301
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0066	0.031	0.0301
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0205	0.1493	0.1485
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0066	0.031	0.0301
Brugia malayi	hypothetical protein	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Brugia malayi	larval opioid receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0066	0.031	0.0301
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0066	0.031	0.0301
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	serotonin transporter b	0.1206	1	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0973	0.8017	0.8015
Schistosoma mansoni	biogenic amine receptor	0.0066	0.031	0.0301
Schistosoma mansoni	amine GPCR	0.0066	0.031	0.0301
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0205	0.1493	0.1485
Brugia malayi	Dopamine receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	fmrfamide receptor	0.0066	0.031	0.0301
Brugia malayi	Dopamine receptor protein 1	0.0066	0.031	0.0301
Brugia malayi	serine/threonine-protein kinase 6	0.0132	0.0874	0.0865
Echinococcus multilocularis	neuropeptide Y receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0205	0.1493	1
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1493	0.1485
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0066	0.031	0.0301
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0066	0.031	0.0301
Schistosoma mansoni	opsin-like receptor	0.0066	0.031	0.0301
Entamoeba histolytica	protein kinase , putative	0.0132	0.0874	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0066	0.031	0.031
Echinococcus multilocularis	neuropeptides capa receptor	0.0066	0.031	0.0301
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0205	0.1493	0.1485
Brugia malayi	hypothetical protein	0.0066	0.031	0.0301
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0066	0.031	0.0301
Schistosoma mansoni	amine GPCR	0.0066	0.031	0.0301
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0132	0.0874	0.5
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0205	0.1493	0.1485
Onchocerca volvulus		0.0066	0.031	0.0301
Schistosoma mansoni	biogenic amine receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0205	0.1493	0.1485
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0205	0.1493	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	tm gpcr rhodopsin	0.0066	0.031	0.031
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0066	0.031	0.0301
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0205	0.1493	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0066	0.031	0.0301
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0066	0.031	0.0301
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0205	0.1493	0.1493
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0066	0.031	0.0301
Schistosoma mansoni	adenoreceptor	0.0066	0.031	0.0301
Echinococcus multilocularis	serotonin transporter	0.1206	1	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0066	0.031	0.0301
Trichomonas vaginalis	set domain proteins, putative	0.0239	0.1783	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus multilocularis	g protein coupled receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0066	0.031	0.0301
Echinococcus multilocularis	aurora kinase A	0.0132	0.0874	0.0865
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0205	0.1493	0.1485
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0066	0.031	0.0301
Schistosoma mansoni	opsin-like receptor	0.0066	0.031	0.0301
Schistosoma mansoni	serine/threonine protein kinase	0.0132	0.0874	0.0865
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0132	0.0874	0.5827
Entamoeba histolytica	protein kinase domain containing protein	0.0132	0.0874	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0206	0.1502	0.1494
Loa Loa (eye worm)	neuropeptide F receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1493	0.1485
Schistosoma mansoni	sodium/chloride dependent transporter	0.0205	0.1493	0.1485
Echinococcus granulosus	allatostatin A receptor	0.0066	0.031	0.031
Echinococcus granulosus	g protein coupled receptor	0.0066	0.031	0.031
Echinococcus multilocularis	G protein coupled receptor 139	0.0066	0.031	0.0301
Loa Loa (eye worm)	norepinephrine transporter	0.1206	1	1
Schistosoma mansoni	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0066	0.031	0.031
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0132	0.0874	0.5
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1493	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Brugia malayi	G protein-coupled receptor F59B2.13	0.0066	0.031	0.0301
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.1536	0.1528
Loa Loa (eye worm)	hypothetical protein	0.0571	0.4603	0.4598
Onchocerca volvulus		0.0066	0.031	0.0301
Echinococcus multilocularis	somatostatin receptor	0.0066	0.031	0.0301
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0066	0.031	0.031
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0066	0.031	0.0301
Echinococcus multilocularis	neuropeptide receptor A26	0.0066	0.031	0.0301
Loa Loa (eye worm)	G-protein coupled receptor	0.0066	0.031	0.0301
Schistosoma mansoni	neuropeptide receptor	0.0066	0.031	0.0301
Echinococcus granulosus	g-protein coupled receptor	0.0066	0.031	0.031
Onchocerca volvulus		0.0066	0.031	0.0301
Loa Loa (eye worm)	AUR protein kinase	0.0132	0.0874	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0205	0.1493	0.1485
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0205	0.1493	0.1485
Loa Loa (eye worm)	AUR protein kinase	0.0132	0.0874	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0066	0.031	0.031
Brugia malayi	hypothetical protein	0.0066	0.031	0.0301
Plasmodium vivax	hypothetical protein, conserved	0.0205	0.1493	1
Echinococcus multilocularis	neuropeptide receptor	0.0066	0.031	0.0301
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0571	0.4603	0.4598
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Brugia malayi	putative neuropeptide receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	g-protein coupled receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1493	0.1485
Echinococcus granulosus	orexin receptor type 2	0.0066	0.031	0.031
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0205	0.1493	1
Schistosoma mansoni	biogenic amine receptor	0.0066	0.031	0.0301
Echinococcus granulosus	sex peptide receptor	0.0066	0.031	0.031
Brugia malayi	RE15519p	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	serotonin receptor	0.0066	0.031	0.031
Brugia malayi	neuropeptide F receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0205	0.1493	0.1485
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0066	0.031	0.031
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0132	0.0874	0.0874
Echinococcus granulosus	neuropeptide receptor	0.0066	0.031	0.031
Onchocerca volvulus		0.0066	0.031	0.0301
Brugia malayi	serine/threonine protein kinase 6	0.0132	0.0874	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	neuropeptide receptor A26	0.0066	0.031	0.031
Schistosoma mansoni	growth hormone secretagogue receptor	0.0066	0.031	0.0301
Schistosoma mansoni	sodium/chloride dependent transporter	0.1206	1	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0205	0.1493	1
Toxoplasma gondii	aurora kinase	0.0132	0.0874	0.5827
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Toxoplasma gondii	hypothetical protein	0.0205	0.1493	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0066	0.031	0.0301
Brugia malayi	hypothetical protein	0.0123	0.0796	0.0788
Loa Loa (eye worm)	hypothetical protein	0.0973	0.8017	0.8015
Brugia malayi	Pre-SET motif family protein	0.021	0.1536	0.1528
Echinococcus granulosus	aurora kinase A	0.0132	0.0874	0.0874
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0066	0.031	0.0301
Brugia malayi	G-protein coupled receptor	0.0066	0.031	0.0301
Brugia malayi	hypothetical protein	0.0066	0.031	0.0301
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0066	0.031	0.0301
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0066	0.031	0.0301
Echinococcus granulosus	biogenic amine 5HT receptor	0.0571	0.4603	0.4603
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0066	0.031	0.0301
Entamoeba histolytica	protein kinase, putative	0.0132	0.0874	0.5
Schistosoma mansoni	neuropeptide receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	allatostatin A receptor	0.0066	0.031	0.0301
Schistosoma mansoni	amine GPCR	0.0066	0.031	0.0301
Schistosoma mansoni	neuropeptide F-like receptor	0.0066	0.031	0.0301
Onchocerca volvulus		0.0239	0.1783	0.1775
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0066	0.031	0.0301
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0066	0.031	0.0301
Onchocerca volvulus		0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Onchocerca volvulus		0.0066	0.031	0.0301
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0205	0.1493	0.1485
Echinococcus granulosus	hypothetical protein	0.0066	0.031	0.031
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0205	0.1493	0.1485
Echinococcus multilocularis	sex peptide receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0066	0.031	0.0301
Brugia malayi	Serotonin receptor	0.1007	0.8303	0.8301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Onchocerca volvulus		0.0066	0.031	0.0301
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0132	0.0874	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	rhodopsin orphan GPCR	0.0066	0.031	0.031
Brugia malayi	neuropeptide F receptor	0.0066	0.031	0.0301
Brugia malayi	hypothetical protein	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0066	0.031	0.0301
Brugia malayi	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	tm gpcr rhodopsin	0.0066	0.031	0.031
Echinococcus granulosus	neuropeptides capa receptor	0.0066	0.031	0.031
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Onchocerca volvulus		0.0066	0.031	0.0301
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0066	0.031	0.0301
Schistosoma mansoni	opsin-like receptor	0.0066	0.031	0.0301
Toxoplasma gondii	hypothetical protein	0.0205	0.1493	1
Echinococcus granulosus	somatostatin receptor	0.0066	0.031	0.031
Onchocerca volvulus		0.0066	0.031	0.0301
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0205	0.1493	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1493	0.1485
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0066	0.031	0.0301
Onchocerca volvulus		0.0066	0.031	0.0301
Loa Loa (eye worm)	melatonin receptor type 1A	0.0066	0.031	0.0301
Brugia malayi	hypothetical protein	0.0066	0.031	0.0301
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0205	0.1493	0.1485
Brugia malayi	hypothetical protein	0.0205	0.1493	0.1485
Onchocerca volvulus		0.0205	0.1493	0.1485
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0066	0.031	0.0301
Brugia malayi	follicle stimulating hormone receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	g protein coupled receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0066	0.031	0.0301
Onchocerca volvulus		0.0066	0.031	0.0301
Echinococcus granulosus	serotonin transporter	0.1206	1	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0066	0.031	0.0301
Brugia malayi	ORL1-like opioid receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	neuropeptide Y receptor	0.0066	0.031	0.0301
Brugia malayi	serine/threonine kinase 12	0.0132	0.0874	0.0865
Brugia malayi	AKH receptor	0.0066	0.031	0.0301
Schistosoma mansoni	neuropeptide receptor	0.0066	0.031	0.0301
Brugia malayi	Melatonin receptor type 1A	0.0066	0.031	0.0301
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0205	0.1493	0.1493
Onchocerca volvulus		0.0066	0.031	0.0301
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0066	0.031	0.0301
Plasmodium falciparum	transporter, putative	0.0205	0.1493	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0066	0.031	0.031
Loa Loa (eye worm)	AUR protein kinase	0.0132	0.0874	0.0865
Echinococcus granulosus	sodium and chloride dependent glycine	0.0205	0.1493	0.1493
Brugia malayi	sulfakinin receptor protein	0.0066	0.031	0.0301
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0205	0.1493	0.1485
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0066	0.031	0.0301
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0205	0.1493	0.1485
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0973	0.8017	0.8015
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0205	0.1493	0.1485
Schistosoma mansoni	amine GPCR	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus multilocularis	neuropeptide s receptor	0.0066	0.031	0.0301
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0205	0.1493	0.1493
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0066	0.031	0.0301
Echinococcus multilocularis	dro:myosuppressin receptor	0.0066	0.031	0.0301
Brugia malayi	hypothetical protein	0.0066	0.031	0.0301
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	neuropeptide receptor	0.0066	0.031	0.0301
Onchocerca volvulus		0.0205	0.1493	0.1485
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0066	0.031	0.031
Echinococcus granulosus	neuropeptides capa receptor	0.0066	0.031	0.031
Schistosoma mansoni	hypothetical protein	0.0066	0.031	0.0301
Onchocerca volvulus		0.1206	1	1
Loa Loa (eye worm)	hypothetical protein	0.1206	1	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0066	0.031	0.0301
Schistosoma mansoni	neuropeptide f receptor 76f	0.0066	0.031	0.0301
Echinococcus granulosus	rhodopsin orphan GPCR	0.0066	0.031	0.031
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0066	0.031	0.0301
Brugia malayi	Dopamine receptor protein 2	0.0066	0.031	0.0301
Echinococcus granulosus	g protein coupled receptor	0.0066	0.031	0.031
Onchocerca volvulus		0.0066	0.031	0.0301
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0205	0.1493	0.1493
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0066	0.031	0.031
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Loa Loa (eye worm)	G-protein coupled receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.032	0.2471	0.2464
Loa Loa (eye worm)	hypothetical protein	0.1206	1	1
Giardia lamblia	Aurora kinase	0.0132	0.0874	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0066	0.031	0.0301
Brugia malayi	G protein-coupled receptor	0.0066	0.031	0.0301
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0571	0.4603	0.4598
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.1206	1	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Onchocerca volvulus		0.0205	0.1493	0.1485
Echinococcus multilocularis	orexin receptor type 2	0.0066	0.031	0.0301
Entamoeba histolytica	protein kinase, putative	0.0132	0.0874	0.5
Brugia malayi	GnHR receptor homolog	0.0066	0.031	0.0301
Leishmania major	protein kinase, putative	0.0132	0.0874	0.5
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Schistosoma mansoni	amine GPCR	0.0066	0.031	0.0301
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0205	0.1493	0.1485
Echinococcus granulosus	g protein coupled receptor	0.0066	0.031	0.031
Echinococcus granulosus	dro:myosuppressin receptor	0.0066	0.031	0.031
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0205	0.1493	0.1485
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0066	0.031	0.0301
Echinococcus granulosus	fmrfamide receptor	0.0066	0.031	0.031
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0066	0.031	0.0301
Echinococcus granulosus	7tm_1 domain containing protein	0.0066	0.031	0.031
Loa Loa (eye worm)	solute carrier family 6 member 4	0.1206	1	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0066	0.031	0.0301
Echinococcus granulosus	tm gpcr rhodopsin	0.0066	0.031	0.031
Echinococcus multilocularis	serotonin receptor	0.0571	0.4603	0.4598
Onchocerca volvulus		0.0066	0.031	0.0301
Loa Loa (eye worm)	neuropeptide F receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0009	0.0009
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0066	0.031	0.0301
Echinococcus granulosus	G protein coupled receptor 139	0.0066	0.031	0.031
Onchocerca volvulus		0.0066	0.031	0.0301
Echinococcus granulosus	rhodopsin orphan GPCR	0.0066	0.031	0.031
Echinococcus multilocularis	neuropeptides capa receptor	0.0066	0.031	0.0301
Brugia malayi	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	neuropeptide Y receptor	0.0066	0.031	0.031
Brugia malayi	G-protein coupled receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	TYRA-2 protein	0.0066	0.031	0.0301
Echinococcus multilocularis	fmrfamide receptor	0.0066	0.031	0.0301
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0066	0.031	0.0301
Brugia malayi	Serotonin receptor	0.0066	0.031	0.0301
Schistosoma mansoni	myosin xvIII	0.0066	0.031	0.0301
Plasmodium falciparum	amino acid transporter, putative	0.0205	0.1493	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.1206	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0066	0.031	0.031
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0132	0.0874	0.5
Echinococcus granulosus	sodium and chloride dependent glycine	0.0205	0.1493	0.1493
Echinococcus granulosus	rhodopsin orphan GPCR	0.0066	0.031	0.031
Trypanosoma brucei	aurora B kinase	0.0132	0.0874	0.5
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Onchocerca volvulus		0.0066	0.031	0.0301
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0205	0.1493	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0066	0.031	0.0301
Brugia malayi	putative neuropeptide receptor NPR1	0.0066	0.031	0.0301
Treponema pallidum	sodium- and chloride- dependent transporter	0.1206	1	0.5
Onchocerca volvulus		0.0066	0.031	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1493	0.1485
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0066	0.031	0.0301
Echinococcus granulosus	biogenic amine 5HT receptor	0.0066	0.031	0.031
Echinococcus multilocularis	serotonin receptor	0.0571	0.4603	0.4598
Schistosoma mansoni	hypothetical protein	0.0066	0.031	0.0301
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0066	0.031	0.031
Schistosoma mansoni	histamine h1 receptor	0.0066	0.031	0.0301
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0066	0.031	0.0301

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.094 uM	Inhibitory activity against thrombin	ChEMBL.	15203151
Ki (binding)	= 0.094 uM	Inhibitory activity against thrombin	ChEMBL.	15203151

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 213816