TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 365.469 | Formula: C22H27N3O2
H donors: 1 H acceptors: 2 LogP: 2.59 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=O)N(c1ccccc1)C1CCN(CC1)C(=O)[C@H](c1ccccc1)N
InChi: 1S/C22H27N3O2/c1-2-20(26)25(18-11-7-4-8-12-18)19-13-15-24(16-14-19)22(27)21(23)17-9-5-3-6-10-17/h3-12,19,21H,2,13-16,23H2,1H3/t21-/m0/s1
InChiKey: LNQJEDRWNGCZCV-NRFANRHFSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Mu opioid receptor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	Rhodopsin, putative	Mu opioid receptor	398 aa	328 aa	23.2 %
Onchocerca volvulus		Mu opioid receptor	398 aa	376 aa	26.3 %
Onchocerca volvulus	Programmed cell death protein 5 homolog	Mu opioid receptor	398 aa	323 aa	24.1 %
Onchocerca volvulus		Mu opioid receptor	398 aa	356 aa	23.9 %
Schistosoma mansoni	neuropeptide F-like receptor	Mu opioid receptor	398 aa	335 aa	20.6 %
Onchocerca volvulus		Mu opioid receptor	398 aa	333 aa	26.4 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Mu opioid receptor	398 aa	334 aa	23.1 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Mu opioid receptor	398 aa	370 aa	27.3 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Mu opioid receptor	398 aa	371 aa	27.0 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Mu opioid receptor	398 aa	334 aa	24.9 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Mu opioid receptor	398 aa	397 aa	22.7 %
Echinococcus multilocularis	allatostatin A receptor	Mu opioid receptor	398 aa	341 aa	29.3 %
Echinococcus granulosus	allatostatin A receptor	Mu opioid receptor	398 aa	346 aa	29.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Schistosoma mansoni	amine GPCR	0.0175	0.1555	0.1457
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0175	0.1555	0.4732
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0175	0.1555	0.1457
Loa Loa (eye worm)	TYRA-2 protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus multilocularis	neuropeptide receptor	0.0175	0.1555	0.1449
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0175	0.1555	0.1555
Echinococcus multilocularis	fmrfamide receptor	0.0175	0.1555	0.1449
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0175	0.1555	0.1449
Brugia malayi	hypothetical protein	0.0175	0.1555	0.1555
Onchocerca volvulus		0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0175	0.1555	0.1457
Echinococcus granulosus	fmrfamide receptor	0.0175	0.1555	0.1449
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0175	0.1555	0.1449
Schistosoma mansoni	cellular tumor antigen P53	0.0053	0.0286	0.0173
Brugia malayi	Serotonin receptor	0.0175	0.1555	0.1555
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0175	0.1555	0.1449
Echinococcus multilocularis	g protein coupled receptor	0.0175	0.1555	0.1449
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0987	1	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Schistosoma mansoni	opsin-like receptor	0.0175	0.1555	0.1457
Schistosoma mansoni	biogenic amine receptor	0.0175	0.1555	0.1457
Echinococcus multilocularis	allatostatin A receptor	0.0175	0.1555	0.1449
Echinococcus granulosus	sex peptide receptor	0.0175	0.1555	0.1449
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0175	0.1555	0.1457
Schistosoma mansoni	dihydrofolate reductase	0.0139	0.1184	0.1082
Brugia malayi	Dopamine receptor	0.0175	0.1555	0.1555
Echinococcus granulosus	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Brugia malayi	hypothetical protein	0.0175	0.1555	0.1555
Echinococcus granulosus	geminin	0.0181	0.1619	0.1697
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0175	0.1555	0.4732
Echinococcus granulosus	G protein coupled receptor 139	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.0987	1	1
Schistosoma mansoni	opsin-like receptor	0.0175	0.1555	0.1457
Echinococcus granulosus	somatostatin receptor	0.0175	0.1555	0.1449
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0175	0.1555	0.1449
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.0987	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0175	0.1555	0.1457
Echinococcus multilocularis	orexin receptor type 2	0.0175	0.1555	0.1449
Onchocerca volvulus		0.0175	0.1555	0.4732
Echinococcus granulosus	7tm_1 domain containing protein	0.0175	0.1555	0.1449
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0385	0.3744	0.2704
Schistosoma mansoni	hypothetical protein	0.0175	0.1555	0.1457
Echinococcus granulosus	g-protein coupled receptor	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	thymidylate synthase	0.0341	0.3287	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0385	0.3744	1
Brugia malayi	Dopamine receptor protein 2	0.0175	0.1555	0.1555
Brugia malayi	Dihydrofolate reductase	0.0139	0.1184	0.1184
Brugia malayi	hypothetical protein	0.0175	0.1555	0.1555
Brugia malayi	GnHR receptor homolog	0.0175	0.1555	0.1555
Echinococcus granulosus	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Echinococcus granulosus	biogenic amine 5HT receptor	0.0175	0.1555	0.1449
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0175	0.1555	0.1449
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0175	0.1555	0.1449
Brugia malayi	putative neuropeptide receptor NPR1	0.0175	0.1555	0.1555
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0175	0.1555	0.1457
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	dihydrofolate reductase	0.0139	0.1184	0.3603
Brugia malayi	Zinc finger, C2H2 type family protein	0.0385	0.3744	0.3744
Brugia malayi	hypothetical protein	0.0175	0.1555	0.1555
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Brugia malayi	G protein-coupled receptor F59B2.13	0.0175	0.1555	0.1555
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0987	1	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0175	0.1555	0.1555
Echinococcus multilocularis	g-protein coupled receptor	0.0175	0.1555	0.1449
Onchocerca volvulus		0.0175	0.1555	0.4732
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0175	0.1555	0.1555
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0175	0.1555	0.4732
Onchocerca volvulus		0.0341	0.3287	1
Brugia malayi	hypothetical protein	0.0175	0.1555	0.1555
Chlamydia trachomatis	dihydrofolate reductase	0.0139	0.1184	0.5
Onchocerca volvulus		0.0175	0.1555	0.4732
Mycobacterium ulcerans	thymidylate synthase	0.0341	0.3287	0.3287
Schistosoma mansoni	opsin-like receptor	0.0175	0.1555	0.1457
Echinococcus multilocularis	G protein coupled receptor 139	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0115	0.035
Brugia malayi	Dopamine receptor protein 1	0.0175	0.1555	0.1555
Echinococcus granulosus	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.029	0.0883
Loa Loa (eye worm)	neuropeptide F receptor	0.0175	0.1555	0.4732
Onchocerca volvulus		0.0175	0.1555	0.4732
Schistosoma mansoni	biogenic amine receptor	0.0175	0.1555	0.1457
Brugia malayi	neuropeptide F receptor	0.0175	0.1555	0.1555
Loa Loa (eye worm)	hypothetical protein	0.0053	0.029	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Brugia malayi	RE15519p	0.0175	0.1555	0.1555
Echinococcus multilocularis	serotonin receptor	0.0175	0.1555	0.1449
Echinococcus granulosus	tm gpcr rhodopsin	0.0175	0.1555	0.1449
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0175	0.1555	0.1449
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0175	0.1555	0.1449
Brugia malayi	larval opioid receptor	0.0175	0.1555	0.1555
Onchocerca volvulus		0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Onchocerca volvulus		0.0053	0.0286	0.087
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0175	0.1555	0.1457
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0175	0.1555	0.1457
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0175	0.1555	0.1449
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0481	0.4735	0.4735
Schistosoma mansoni	amine GPCR	0.0175	0.1555	0.1457
Echinococcus multilocularis	geminin	0.0181	0.1619	0.1697
Loa Loa (eye worm)	G-protein coupled receptor	0.0175	0.1555	0.4732
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0175	0.1555	0.1449
Echinococcus granulosus	neuropeptides capa receptor	0.0175	0.1555	0.1449
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Brugia malayi	G-protein coupled receptor	0.0175	0.1555	0.1555
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0139	0.1184	0.1184
Brugia malayi	hypothetical protein	0.0175	0.1555	0.1555
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.0987	1	1
Echinococcus multilocularis	g protein coupled receptor	0.0175	0.1555	0.1449
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0175	0.1555	0.1457
Schistosoma mansoni	hypothetical protein	0.0181	0.1619	0.1521
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0987	1	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0385	0.3744	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Onchocerca volvulus		0.0175	0.1555	0.4732
Echinococcus granulosus	neuropeptides capa receptor	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus granulosus	g protein coupled receptor	0.0175	0.1555	0.1449
Echinococcus granulosus	neuropeptide FF receptor 2	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus granulosus	dro:myosuppressin receptor	0.0175	0.1555	0.1449
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0341	0.3287	0.3287
Schistosoma mansoni	neuropeptide receptor	0.0175	0.1555	0.1457
Schistosoma mansoni	neuropeptide receptor	0.0175	0.1555	0.1457
Echinococcus multilocularis	neuropeptide Y receptor	0.0175	0.1555	0.1449
Brugia malayi	hypothetical protein	0.0175	0.1555	0.1555
Schistosoma mansoni	neuropeptide F-like receptor	0.0175	0.1555	0.1457
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0385	0.3744	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0175	0.1555	0.1555
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0175	0.1555	0.1449
Loa Loa (eye worm)	melatonin receptor type 1A	0.0175	0.1555	0.4732
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0139	0.1184	0.1184
Echinococcus multilocularis	somatostatin receptor	0.0175	0.1555	0.1449
Brugia malayi	sulfakinin receptor protein	0.0175	0.1555	0.1555
Brugia malayi	thymidylate synthase	0.0341	0.3287	0.3287
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus granulosus	neuropeptide receptor	0.0175	0.1555	0.1449
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0341	0.3287	0.3287
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0175	0.1555	0.1449
Echinococcus multilocularis	serotonin receptor	0.0175	0.1555	0.1449
Echinococcus granulosus	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Schistosoma mansoni	biogenic amine receptor	0.0175	0.1555	0.1457
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0175	0.1555	0.4732
Echinococcus multilocularis	neuropeptide receptor A26	0.0175	0.1555	0.1449
Echinococcus multilocularis	neuropeptide Y receptor	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0175	0.1555	0.1449
Schistosoma mansoni	neuropeptide receptor	0.0175	0.1555	0.1457
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0175	0.1555	0.1457
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus granulosus	neuropeptide Y receptor	0.0175	0.1555	0.1449
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0175	0.1555	0.1457
Echinococcus multilocularis	g protein coupled receptor	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0175	0.1555	0.1457
Echinococcus granulosus	tumor protein p63	0.0361	0.349	0.9005
Onchocerca volvulus		0.0175	0.1555	0.4732
Echinococcus granulosus	neuropeptide receptor A26	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Schistosoma mansoni	hypothetical protein	0.0181	0.1619	0.1521
Echinococcus granulosus	tm gpcr rhodopsin	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0139	0.1184	0.1184
Brugia malayi	hypothetical protein	0.0175	0.1555	0.1555
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.0987	1	1
Brugia malayi	hypothetical protein	0.0175	0.1555	0.1555
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0175	0.1555	0.1449
Echinococcus granulosus	tm gpcr rhodopsin	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.0987	1	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Schistosoma mansoni	amine GPCR	0.0175	0.1555	0.1457
Brugia malayi	neuropeptide F receptor	0.0175	0.1555	0.1555
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0175	0.1555	0.1457
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0385	0.3744	1
Echinococcus multilocularis	neuropeptide receptor	0.0175	0.1555	0.1449
Brugia malayi	hypothetical protein	0.0175	0.1555	0.1555
Onchocerca volvulus		0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus granulosus	hypothetical protein	0.0175	0.1555	0.1449
Brugia malayi	ORL1-like opioid receptor	0.0175	0.1555	0.1555
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0175	0.1555	0.1449
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0481	0.4735	0.3859
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0175	0.1555	0.1457
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0175	0.1555	0.4732
Echinococcus granulosus	biogenic amine 5HT receptor	0.0175	0.1555	0.1449
Echinococcus multilocularis	fmrfamide receptor	0.0175	0.1555	0.1449
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0175	0.1555	0.1457
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Brugia malayi	putative neuropeptide receptor	0.0175	0.1555	0.1555
Echinococcus multilocularis	dro:myosuppressin receptor	0.0175	0.1555	0.1449
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0987	1	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0385	0.3744	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0175	0.1555	0.4732
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0175	0.1555	0.1449
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0175	0.1555	0.1457
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Brugia malayi	follicle stimulating hormone receptor	0.0175	0.1555	0.1555
Echinococcus granulosus	serotonin receptor	0.0175	0.1555	0.1449
Echinococcus granulosus	g protein coupled receptor	0.0175	0.1555	0.1449
Echinococcus multilocularis	neuropeptide s receptor	0.0175	0.1555	0.1449
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Schistosoma mansoni	histamine h1 receptor	0.0175	0.1555	0.1457
Schistosoma mansoni	hypothetical protein	0.0175	0.1555	0.1457
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0175	0.1555	0.1449
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.029	0.029
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0115	0.0115
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0175	0.1555	0.1449
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0385	0.3744	1
Onchocerca volvulus		0.0175	0.1555	0.4732
Plasmodium falciparum	dihydroorotate dehydrogenase	0.0987	1	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0175	0.1555	0.1457
Echinococcus granulosus	g protein coupled receptor	0.0175	0.1555	0.1449
Echinococcus granulosus	orexin receptor type 2	0.0175	0.1555	0.1449
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0385	0.3744	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0175	0.1555	0.1457
Echinococcus granulosus	7TM GPCR rhodopsin	0.0175	0.1555	0.1449
Onchocerca volvulus		0.0175	0.1555	0.4732
Echinococcus multilocularis	tumor protein p63	0.0361	0.349	0.9005
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0175	0.1555	0.1449
Onchocerca volvulus		0.0175	0.1555	0.4732
Schistosoma mansoni	neuropeptide receptor	0.0175	0.1555	0.1457
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0175	0.1555	0.1555
Echinococcus granulosus	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Mycobacterium tuberculosis	Hypothetical protein	0.0162	0.1426	0.1426
Schistosoma mansoni	amine GPCR	0.0175	0.1555	0.1457
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0175	0.1555	0.1449
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus granulosus	neuropeptide s receptor	0.0175	0.1555	0.1449
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0175	0.1555	0.1449
Echinococcus granulosus	neuropeptide Y receptor	0.0175	0.1555	0.1449
Brugia malayi	Serotonin receptor	0.0175	0.1555	0.1555
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0385	0.3744	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0175	0.1555	0.1457
Echinococcus granulosus	neuropeptide receptor	0.0175	0.1555	0.1449
Brugia malayi	Melatonin receptor type 1A	0.0175	0.1555	0.1555
Brugia malayi	dihydrofolate reductase family protein	0.0139	0.1184	0.1184
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0175	0.1555	0.1457
Echinococcus multilocularis	thymidylate synthase	0.0341	0.3287	0.8214
Echinococcus multilocularis	neuropeptides capa receptor	0.0175	0.1555	0.1449
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0175	0.1555	0.1457
Echinococcus multilocularis	neuropeptides capa receptor	0.0175	0.1555	0.1449
Schistosoma mansoni	growth hormone secretagogue receptor	0.0175	0.1555	0.1457
Schistosoma mansoni	amine GPCR	0.0175	0.1555	0.1457
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0175	0.1555	0.1457
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0175	0.1555	0.1457
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.0987	1	1
Onchocerca volvulus		0.0175	0.1555	0.4732
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0175	0.1555	0.1457
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0175	0.1555	0.1457
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0175	0.1555	0.1457
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0175	0.1555	0.4732
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0175	0.1555	0.1555
Echinococcus multilocularis	sex peptide receptor	0.0175	0.1555	0.1449
Brugia malayi	G-protein coupled receptor	0.0175	0.1555	0.1555
Onchocerca volvulus		0.0175	0.1555	0.4732
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0341	0.3287	0.3209
Echinococcus granulosus	thymidylate synthase	0.0341	0.3287	0.8214
Onchocerca volvulus		0.0175	0.1555	0.4732
Onchocerca volvulus		0.0175	0.1555	0.4732
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0385	0.3744	1
Brugia malayi	hypothetical protein	0.0162	0.1426	0.1426
Echinococcus granulosus	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Loa Loa (eye worm)	G-protein coupled receptor	0.0175	0.1555	0.4732
Echinococcus granulosus	allatostatin A receptor	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Onchocerca volvulus		0.0175	0.1555	0.4732
Schistosoma mansoni	adenoreceptor	0.0175	0.1555	0.1457
Schistosoma mansoni	hypothetical protein	0.0175	0.1555	0.1457
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus granulosus	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0175	0.1555	0.1449
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0175	0.1555	0.4732
Schistosoma mansoni	dihydroorotate dehydrogenase	0.0987	1	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0385	0.3744	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Schistosoma mansoni	hypothetical protein	0.0175	0.1555	0.1457
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Brugia malayi	G protein-coupled receptor	0.0175	0.1555	0.1555
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0175	0.1555	0.1449
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0385	0.3744	1
Schistosoma mansoni	myosin xvIII	0.0175	0.1555	0.1457
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0175	0.1555	0.1449
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0175	0.1555	0.1457
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.0987	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1555	0.4732
Brugia malayi	AKH receptor	0.0175	0.1555	0.1555
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.029	0.029
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0175	0.1555	0.1457
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0286	0.087
Leishmania major	dihydroorotate dehydrogenase	0.0987	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells at 0.1 uM	ChEMBL.	17329100
Activity (binding)	0	Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells at 0.1 uM	ChEMBL.	17329100
Inhibition (functional)	= 3 %	Antagonist activity at mu opioid receptor as inhibition of electrically stimulated guinea pig ileum contraction at 1 uM	ChEMBL.	17329100
Inhibition (functional)	= 3 %	Antagonist activity at mu opioid receptor as inhibition of electrically stimulated guinea pig ileum contraction at 1 uM	ChEMBL.	17329100
Inhibition (functional)	= 7 %	Antagonist activity at delta opioid receptor as inhibition of electrically stimulated mouse vas deferens contraction at 1 uM	ChEMBL.	17329100
Inhibition (functional)	= 7 %	Antagonist activity at delta opioid receptor as inhibition of electrically stimulated mouse vas deferens contraction at 1 uM	ChEMBL.	17329100
Ki (binding)	= 6.4 uM	Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells	ChEMBL.	17329100
Ki (binding)	= 6.4 uM	Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells	ChEMBL.	17329100

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: CHEMBL389813

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 428474