TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 539.625 | Formula: C23H35N7O6S
H donors: 5 H acceptors: 6 LogP: -3.52 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: NC(=N)NCC(=O)N[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1C)SC1=[14C](C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C
InChi: 1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1/i18+2
InChiKey: KEDAXBWZURNCHS-VIHYQAJOSA-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
Onchocerca volvulus		0.0095	0.1474	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Schistosoma mansoni	amine GPCR	0.0095	0.1474	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0095	0.1474	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0095	0.1474	1
Echinococcus granulosus	somatostatin receptor	0.0095	0.1474	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0095	0.1474	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0095	0.1474	0.5
Brugia malayi	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Schistosoma mansoni	neuropeptide receptor	0.0095	0.1474	0.5
Brugia malayi	putative neuropeptide receptor NPR1	0.0095	0.1474	1
Schistosoma mansoni	opsin-like receptor	0.0095	0.1474	0.5
Brugia malayi	GnHR receptor homolog	0.0095	0.1474	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Onchocerca volvulus		0.0095	0.1474	0.5
Loa Loa (eye worm)	melatonin receptor type 1A	0.0095	0.1474	1
Onchocerca volvulus		0.0095	0.1474	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0095	0.1474	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Schistosoma mansoni	neuropeptide receptor	0.0095	0.1474	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.1474	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0095	0.1474	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0095	0.1474	0.5
Brugia malayi	Serotonin receptor	0.0095	0.1474	1
Onchocerca volvulus		0.0095	0.1474	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0095	0.1474	0.5
Onchocerca volvulus		0.0095	0.1474	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.0095	0.1474	0.5
Echinococcus granulosus	g protein coupled receptor	0.0095	0.1474	0.5
Onchocerca volvulus		0.0095	0.1474	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0095	0.1474	0.5
Onchocerca volvulus		0.0095	0.1474	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Onchocerca volvulus		0.0095	0.1474	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0095	0.1474	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0095	0.1474	0.5
Schistosoma mansoni	amine GPCR	0.0095	0.1474	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	somatostatin receptor	0.0095	0.1474	0.5
Brugia malayi	hypothetical protein	0.0095	0.1474	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0095	0.1474	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus multilocularis	sex peptide receptor	0.0095	0.1474	0.5
Schistosoma mansoni	opsin-like receptor	0.0095	0.1474	0.5
Onchocerca volvulus		0.0095	0.1474	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.1474	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0095	0.1474	0.5
Echinococcus multilocularis	serotonin receptor	0.0095	0.1474	0.5
Brugia malayi	hypothetical protein	0.0095	0.1474	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0095	0.1474	0.5
Schistosoma mansoni	amine GPCR	0.0095	0.1474	0.5
Brugia malayi	hypothetical protein	0.0095	0.1474	1
Schistosoma mansoni	opsin-like receptor	0.0095	0.1474	0.5
Schistosoma mansoni	adenoreceptor	0.0095	0.1474	0.5
Brugia malayi	AKH receptor	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus granulosus	g protein coupled receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0095	0.1474	0.5
Schistosoma mansoni	neuropeptide receptor	0.0095	0.1474	0.5
Echinococcus granulosus	fmrfamide receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0371	0.9844	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus granulosus	neuropeptides capa receptor	0.0095	0.1474	0.5
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.0376	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0371	0.9844	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0095	0.1474	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0095	0.1474	0.5
Schistosoma mansoni	amine GPCR	0.0095	0.1474	0.5
Onchocerca volvulus		0.0095	0.1474	0.5
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0371	0.9844	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0095	0.1474	1
Brugia malayi	Dopamine receptor	0.0095	0.1474	1
Onchocerca volvulus		0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0095	0.1474	1
Echinococcus granulosus	allatostatin A receptor	0.0095	0.1474	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0095	0.1474	0.5
Echinococcus granulosus	sex peptide receptor	0.0095	0.1474	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0095	0.1474	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0095	0.1474	0.5
Schistosoma mansoni	biogenic amine receptor	0.0095	0.1474	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.1474	0.5
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0251	0.6209	0.4101
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Brugia malayi	putative neuropeptide receptor	0.0095	0.1474	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0095	0.1474	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0095	0.1474	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.0095	0.1474	1
Schistosoma mansoni	hypothetical protein	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0095	0.1474	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.1474	0.5
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0095	0.1474	0.5
Brugia malayi	larval opioid receptor	0.0095	0.1474	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0095	0.1474	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0095	0.1474	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0095	0.1474	0.5
Echinococcus granulosus	neuropeptide receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	g-protein coupled receptor	0.0095	0.1474	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Brugia malayi	Serotonin receptor	0.0095	0.1474	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0095	0.1474	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0095	0.1474	0.5
Echinococcus granulosus	serotonin receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0095	0.1474	1
Brugia malayi	hypothetical protein	0.0095	0.1474	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0095	0.1474	0.5
Echinococcus multilocularis	allatostatin A receptor	0.0095	0.1474	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.0095	0.1474	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0095	0.1474	1
Echinococcus granulosus	g-protein coupled receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus multilocularis	orexin receptor type 2	0.0095	0.1474	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0095	0.1474	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0095	0.1474	0.5
Echinococcus granulosus	g protein coupled receptor	0.0095	0.1474	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.1474	0.5
Brugia malayi	hypothetical protein	0.0095	0.1474	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0095	0.1474	1
Brugia malayi	hypothetical protein	0.0095	0.1474	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0095	0.1474	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0095	0.1474	0.5
Brugia malayi	Dopamine receptor protein 2	0.0095	0.1474	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0095	0.1474	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Brugia malayi	G-protein coupled receptor	0.0095	0.1474	1
Brugia malayi	sulfakinin receptor protein	0.0095	0.1474	1
Onchocerca volvulus		0.0095	0.1474	0.5
Onchocerca volvulus		0.0095	0.1474	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus multilocularis	serotonin receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Brugia malayi	RE15519p	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus multilocularis	g protein coupled receptor	0.0095	0.1474	0.5
Brugia malayi	ORL1-like opioid receptor	0.0095	0.1474	1
Brugia malayi	hypothetical protein	0.0095	0.1474	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0095	0.1474	0.5
Brugia malayi	hypothetical protein	0.0095	0.1474	1
Brugia malayi	Melatonin receptor type 1A	0.0095	0.1474	1
Echinococcus multilocularis	neuropeptide s receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0095	0.1474	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Brugia malayi	Dopamine receptor protein 1	0.0095	0.1474	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Schistosoma mansoni	hypothetical protein	0.0095	0.1474	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0095	0.1474	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0095	0.1474	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Brugia malayi	G protein-coupled receptor	0.0095	0.1474	1
Echinococcus granulosus	orexin receptor type 2	0.0095	0.1474	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0095	0.1474	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0095	0.1474	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0095	0.1474	1
Brugia malayi	neuropeptide F receptor	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus granulosus	hypothetical protein	0.0095	0.1474	0.5
Schistosoma mansoni	amine GPCR	0.0095	0.1474	0.5
Schistosoma mansoni	hypothetical protein	0.0095	0.1474	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0095	0.1474	0.5
Schistosoma mansoni	biogenic amine receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Brugia malayi	hypothetical protein	0.0095	0.1474	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Schistosoma mansoni	hypothetical protein	0.0095	0.1474	0.5
Onchocerca volvulus		0.0095	0.1474	0.5
Brugia malayi	neuropeptide F receptor	0.0095	0.1474	1
Onchocerca volvulus		0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0095	0.1474	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0095	0.1474	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Onchocerca volvulus		0.0095	0.1474	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0095	0.1474	0.5
Echinococcus granulosus	neuropeptide receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0095	0.1474	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0095	0.1474	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0095	0.1474	0.5
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0095	0.1474	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0095	0.1474	0.5
Schistosoma mansoni	myosin xvIII	0.0095	0.1474	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0095	0.1474	0.5
Onchocerca volvulus		0.0095	0.1474	0.5
Schistosoma mansoni	neuropeptide receptor	0.0095	0.1474	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.1474	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Brugia malayi	G-protein coupled receptor	0.0095	0.1474	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0095	0.1474	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.1474	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.1474	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0095	0.1474	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.0095	0.1474	0.5
Schistosoma mansoni	biogenic amine receptor	0.0095	0.1474	0.5
Treponema pallidum	penicillin-binding protein (pbp-1)	0.0376	1	1
Schistosoma mansoni	histamine h1 receptor	0.0095	0.1474	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0095	0.1474	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0095	0.1474	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1474	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.0095	0.1474	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	= 0.54 %	Biliary excretion in bile duct cannulated rat assessed as radioactivity at 10 mg/kg, iv after 48 h	ChEMBL.	17074792
Activity (ADMET)	= 7.5 %	Fecal excretion ratio in monkey assessed as radioactivity at 10 mg/kg, iv after 7 days	ChEMBL.	17074792
Activity (ADMET)	= 12.5 %	Fecal excretion ratio in rat assessed as radioactivity at 10 mg/kg, iv after 7 days	ChEMBL.	17074792
Activity (ADMET)	= 87.1 %	Urinary excretion ratio in rat assessed as radioactivity at 10 mg/kg, iv after 7 days	ChEMBL.	17074792
Activity (ADMET)	= 88 %	Urinary excretion ratio in monkey assessed as radioactivity at 10 mg/kg, iv after 7 days	ChEMBL.	17074792
AUC (ADMET)	= 26.8 ug.hr/ml	AUC (0-inf) in rat assessed as radioactivity at 10 mg/kg, iv	ChEMBL.	17074792
AUC (ADMET)	= 87.4 ug.hr/ml	AUC (0-inf) in monkey assessed as radioactivity at 10 mg/kg, iv	ChEMBL.	17074792

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: CHEMBL373505

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 416674