TDR Targets

Basic information

Technical information

TDR Targets ID: 320527
Name: (2S,4R)-N-[[2-chloro-4-(5,6,7,8-tetrahydrothi eno[3,2-b]azepine-4-carbonyl)phenyl]methyl]-4 -methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-car bonyl)pyrrolidine-1-carboxamide
MW: 628.225 | Formula: C32H42ClN5O4S
H donors: 1 H acceptors: 3 LogP: 3.85 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2)C(=O)N1CCC(CC1)N1CCCC1
InChi: 1S/C32H42ClN5O4S/c1-42-25-19-28(31(40)36-15-9-24(10-16-36)35-12-4-5-13-35)38(21-25)32(41)34-20-23-8-7-22(18-26(23)33)30(39)37-14-3-2-6-29-27(37)11-17-43-29/h7-8,11,17-18,24-25,28H,2-6,9-10,12-16,19-21H2,1H3,(H,34,41)/t25-,28+/m1/s1
InChiKey: RIBXWDTWYCHBRT-NAKRPHOHSA-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

(2S,4R)-N-[[2-chloro-4-[oxo(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methyl]phenyl]methyl]-4-methoxy-2-[oxo-[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-1-pyrrolidinecarboxamide
(2S,4R)-N-[[2-chloro-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]methyl]-4-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl-pyrrolidine-1-carboxamide
(2S,4R)-N-[2-chloro-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)benzyl]-4-methoxy-2-(4-pyrrolidinopiperidine-1-carbonyl)pyrrolidine-1-carboxamide
(2S,4R)-N-[[2-chloro-4-[oxo-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methyl]phenyl]methyl]-4-methoxy-2-[oxo-(4-1-pyrrolidinyl-1-piperidinyl)methyl]-1-pyrrolidinecarboxamide
(2S,4R)-N-[2-chloro-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)benzyl]-4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)pyrrolidine-1-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	oxytocin receptor	Starlite/ChEMBL	References
Homo sapiens	arginine vasopressin receptor 2	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
Loa Loa (eye worm)	neuropeptide F receptor	0.013	0.2264	0.4869
Echinococcus granulosus	neuropeptides capa receptor	0.013	0.2264	0.2264
Schistosoma mansoni	biogenic amine receptor	0.013	0.2264	0.1666
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	neuropeptide FF receptor 2	0.013	0.2264	0.2457
Brugia malayi	Dopamine receptor protein 2	0.013	0.2264	0.4869
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.013	0.2264	0.1666
Brugia malayi	G protein-coupled receptor	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	G protein coupled receptor 139	0.013	0.2264	0.2264
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.2264	0.1666
Brugia malayi	Tachykinin-like peptides receptor 99D	0.013	0.2264	0.4869
Echinococcus multilocularis	muscleblind protein	0.0172	0.465	0.5047
Echinococcus multilocularis	neuropeptide receptor	0.013	0.2264	0.2457
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.013	0.2264	0.2264
Onchocerca volvulus		0.013	0.2264	0.5
Echinococcus multilocularis	fmrfamide receptor	0.013	0.2264	0.2457
Onchocerca volvulus		0.013	0.2264	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.013	0.2264	0.1666
Schistosoma mansoni	biogenic amine receptor	0.013	0.2264	0.1666
Brugia malayi	putative neuropeptide receptor NPR1	0.013	0.2264	0.4869
Schistosoma mansoni	biogenic amine (5HT) receptor	0.013	0.2264	0.1666
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.013	0.2264	0.2264
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.013	0.2264	0.2457
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.013	0.2264	0.2457
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.013	0.2264	0.2457
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.2264	0.2457
Echinococcus multilocularis	sex peptide receptor	0.013	0.2264	0.2457
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0103	0.0718	0.0779
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.2264	0.2457
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.013	0.2264	0.2457
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.2264	0.2457
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.013	0.2264	0.4869
Schistosoma mansoni	neuropeptide f receptor 76f	0.013	0.2264	0.1666
Onchocerca volvulus		0.013	0.2264	0.5
Echinococcus multilocularis	g protein coupled receptor	0.013	0.2264	0.2457
Brugia malayi	putative neuropeptide receptor	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.0172	0.465	1
Brugia malayi	follicle stimulating hormone receptor	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.013	0.2264	0.4869
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0103	0.0718	0.5
Echinococcus granulosus	g protein coupled receptor	0.013	0.2264	0.2264
Loa Loa (eye worm)	G-protein coupled receptor	0.013	0.2264	0.4869
Echinococcus granulosus	g-protein coupled receptor	0.013	0.2264	0.2264
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.013	0.2264	0.4869
Brugia malayi	G-protein coupled receptor	0.013	0.2264	0.4869
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.013	0.2264	0.2457
Brugia malayi	hypothetical protein	0.013	0.2264	0.4869
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.013	0.2264	0.4869
Echinococcus granulosus	g protein coupled receptor	0.013	0.2264	0.2264
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.013	0.2264	0.2457
Brugia malayi	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	fmrfamide receptor	0.013	0.2264	0.2457
Onchocerca volvulus		0.013	0.2264	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.2264	0.2457
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.013	0.2264	0.2457
Echinococcus multilocularis	g protein coupled receptor	0.013	0.2264	0.2457
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.013	0.2264	0.2264
Schistosoma mansoni	amine GPCR	0.013	0.2264	0.1666
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.013	0.2264	0.2457
Brugia malayi	sulfakinin receptor protein	0.013	0.2264	0.4869
Echinococcus multilocularis	somatostatin receptor	0.013	0.2264	0.2457
Schistosoma mansoni	amine GPCR	0.013	0.2264	0.1666
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.013	0.2264	0.1666
Echinococcus granulosus	neuropeptide receptor A26	0.013	0.2264	0.2264
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.013	0.2264	0.2457
Schistosoma mansoni	retinoic acid receptor RXR	0.0265	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.2264	0.1666
Schistosoma mansoni	opsin-like receptor	0.013	0.2264	0.1666
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.2264	0.1666
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0718	0.1543
Loa Loa (eye worm)	hypothetical protein	0.0172	0.465	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	serotonin receptor	0.013	0.2264	0.2264
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.2264	0.1666
Brugia malayi	Serotonin receptor	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.013	0.2264	0.1666
Schistosoma mansoni	amine GPCR	0.013	0.2264	0.1666
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.2264	0.1666
Onchocerca volvulus		0.013	0.2264	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.013	0.2264	0.4869
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.013	0.2264	0.2264
Schistosoma mansoni	hypothetical protein	0.013	0.2264	0.1666
Onchocerca volvulus		0.013	0.2264	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.013	0.2264	0.1666
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	biogenic amine 5HT receptor	0.013	0.2264	0.2264
Echinococcus granulosus	alpha 1A adrenergic receptor	0.013	0.2264	0.2264
Echinococcus granulosus	tm gpcr rhodopsin	0.013	0.2264	0.2264
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.2264	0.2457
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Schistosoma mansoni	amine GPCR	0.013	0.2264	0.1666
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.2264	0.1666
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.2264	0.2457
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.013	0.2264	0.1666
Echinococcus granulosus	fmrfamide receptor	0.013	0.2264	0.2264
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	neuropeptide receptor A26	0.013	0.2264	0.2457
Brugia malayi	G protein-coupled receptor F59B2.13	0.013	0.2264	0.4869
Echinococcus multilocularis	g-protein coupled receptor	0.013	0.2264	0.2457
Echinococcus granulosus	neuropeptides capa receptor	0.013	0.2264	0.2264
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.013	0.2264	0.4869
Schistosoma mansoni	histamine h1 receptor	0.013	0.2264	0.1666
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.013	0.2264	0.5
Onchocerca volvulus		0.013	0.2264	0.5
Echinococcus granulosus	neuropeptide s receptor	0.013	0.2264	0.2264
Echinococcus granulosus	muscleblind protein	0.0172	0.465	0.465
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.2264	0.2264
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	G-protein coupled receptor, putative	0.013	0.2264	0.2457
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.2264	0.2264
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.013	0.2264	0.1666
Brugia malayi	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	neuropeptide Y receptor	0.013	0.2264	0.2457
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.2264	0.1666
Echinococcus granulosus	sex peptide receptor	0.013	0.2264	0.2264
Schistosoma mansoni	myosin xvIII	0.013	0.2264	0.1666
Brugia malayi	RE15519p	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Schistosoma mansoni	growth hormone secretagogue receptor	0.013	0.2264	0.1666
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.013	0.2264	0.1666
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.2264	0.2264
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Onchocerca volvulus		0.013	0.2264	0.5
Onchocerca volvulus		0.013	0.2264	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.013	0.2264	0.2457
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.013	0.2264	0.1666
Schistosoma mansoni	opsin-like receptor	0.013	0.2264	0.1666
Brugia malayi	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	larval opioid receptor	0.013	0.2264	0.4869
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.013	0.2264	0.4869
Echinococcus multilocularis	dro:myosuppressin receptor	0.013	0.2264	0.2457
Schistosoma mansoni	adenoreceptor	0.013	0.2264	0.1666
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.013	0.2264	0.1666
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	neuropeptide receptor	0.013	0.2264	0.2264
Onchocerca volvulus		0.013	0.2264	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.013	0.2264	0.1666
Echinococcus granulosus	7tm_1 domain containing protein	0.013	0.2264	0.2264
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0103	0.0718	0.0779
Schistosoma mansoni	hypothetical protein	0.013	0.2264	0.1666
Brugia malayi	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	GnHR receptor homolog	0.013	0.2264	0.4869
Brugia malayi	Dopamine receptor	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.013	0.2264	0.2264
Brugia malayi	hypothetical protein	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Schistosoma mansoni	neuropeptide F-like receptor	0.013	0.2264	0.1666
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	muscleblind protein 1	0.0172	0.465	0.5047
Loa Loa (eye worm)	TYRA-2 protein	0.013	0.2264	0.4869
Echinococcus granulosus	orexin receptor type 2	0.013	0.2264	0.2264
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0103	0.0718	0.0718
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.2264	0.1666
Echinococcus multilocularis	G protein coupled receptor 139	0.013	0.2264	0.2457
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	Melatonin receptor type 1A	0.013	0.2264	0.4869
Loa Loa (eye worm)	neuropeptide F receptor	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	neuropeptide receptor	0.013	0.2264	0.2457
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.2264	0.2264
Schistosoma mansoni	hypothetical protein	0.013	0.2264	0.1666
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.013	0.2264	0.1666
Onchocerca volvulus		0.013	0.2264	0.5
Onchocerca volvulus		0.013	0.2264	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.013	0.2264	0.2264
Onchocerca volvulus		0.013	0.2264	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.013	0.2264	0.2264
Brugia malayi	Serotonin receptor	0.013	0.2264	0.4869
Echinococcus multilocularis	allatostatin A receptor	0.013	0.2264	0.2457
Brugia malayi	neuropeptide F receptor	0.013	0.2264	0.4869
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.013	0.2264	0.2457
Schistosoma mansoni	neuropeptide receptor	0.013	0.2264	0.1666
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.013	0.2264	0.1666
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	tachykinin peptides receptor 99D	0.013	0.2264	0.2264
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Brugia malayi	ORL1-like opioid receptor	0.013	0.2264	0.4869
Schistosoma mansoni	hypothetical protein	0.013	0.2264	0.1666
Echinococcus granulosus	neuropeptide receptor	0.013	0.2264	0.2264
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0103	0.0718	0.0718
Echinococcus multilocularis	neuropeptides capa receptor	0.013	0.2264	0.2457
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.2264	0.2264
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.013	0.2264	0.4869
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.013	0.2264	0.2457
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.013	0.2264	0.2457
Loa Loa (eye worm)	G-protein coupled receptor	0.013	0.2264	0.4869
Echinococcus granulosus	allatostatin A receptor	0.013	0.2264	0.2264
Echinococcus granulosus	hypothetical protein	0.013	0.2264	0.2264
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0252	0.9213	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Onchocerca volvulus		0.013	0.2264	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.2264	0.2264
Echinococcus granulosus	peptide allatostatin:somatostatin	0.013	0.2264	0.2264
Schistosoma mansoni	neuropeptide F-like receptor	0.013	0.2264	0.1666
Brugia malayi	AKH receptor	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	neuropeptide Y receptor	0.013	0.2264	0.2264
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.013	0.2264	0.1666
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.013	0.2264	0.2457
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	biogenic amine 5HT receptor	0.013	0.2264	0.2264
Echinococcus granulosus	neuropeptide FF receptor 2	0.013	0.2264	0.2264
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.013	0.2264	0.2264
Schistosoma mansoni	neuropeptide receptor	0.013	0.2264	0.1666
Echinococcus granulosus	g protein coupled receptor	0.013	0.2264	0.2264
Echinococcus multilocularis	neuropeptide Y receptor	0.013	0.2264	0.2457
Echinococcus multilocularis	serotonin receptor	0.013	0.2264	0.2457
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Schistosoma mansoni	biogenic amine receptor	0.013	0.2264	0.1666
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Onchocerca volvulus	Neuropeptide F receptor homolog	0.013	0.2264	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus granulosus	tm gpcr rhodopsin	0.013	0.2264	0.2264
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.2264	0.2457
Onchocerca volvulus		0.013	0.2264	0.5
Echinococcus granulosus	somatostatin receptor	0.013	0.2264	0.2264
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.2264	0.1666
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0103	0.0718	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Schistosoma mansoni	amine GPCR	0.013	0.2264	0.1666
Schistosoma mansoni	neuropeptide receptor	0.013	0.2264	0.1666
Brugia malayi	Muscleblind-like protein	0.0172	0.465	1
Onchocerca volvulus		0.013	0.2264	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.013	0.2264	0.2264
Brugia malayi	G-protein coupled receptor	0.013	0.2264	0.4869
Brugia malayi	Dopamine receptor protein 1	0.013	0.2264	0.4869
Schistosoma mansoni	opsin-like receptor	0.013	0.2264	0.1666
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.2264	0.2457
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.2264	0.2264
Echinococcus multilocularis	g protein coupled receptor	0.013	0.2264	0.2457
Echinococcus granulosus	dro:myosuppressin receptor	0.013	0.2264	0.2264
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.013	0.2264	0.2457
Schistosoma mansoni	neuropeptide receptor	0.013	0.2264	0.1666
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.013	0.2264	0.1666
Echinococcus multilocularis	serotonin receptor	0.013	0.2264	0.2457
Onchocerca volvulus		0.013	0.2264	0.5
Echinococcus multilocularis	orexin receptor type 2	0.013	0.2264	0.2457
Echinococcus multilocularis	neuropeptide s receptor	0.013	0.2264	0.2457
Brugia malayi	neuropeptide F receptor	0.013	0.2264	0.4869
Loa Loa (eye worm)	hypothetical protein	0.013	0.2264	0.4869
Loa Loa (eye worm)	melatonin receptor type 1A	0.013	0.2264	0.4869

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 1100 nM	Effective concentration for human Vassopressin V2 receptor	ChEMBL.	15357997
EC50 (binding)	= 1100 nM	Effective concentration for human Vassopressin V2 receptor	ChEMBL.	15357997
EC50 (binding)	= 2300 nM	Effective concentration for human Oxytocin receptor	ChEMBL.	15357997
EC50 (binding)	= 2300 nM	Effective concentration for human Oxytocin receptor	ChEMBL.	15357997

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: CHEMBL362382
PubChem: 10282736

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 320527