TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 821.403 | Formula: C46H53ClN6O6
H donors: 4 H acceptors: 6 LogP: 5.66 Rotable bonds: 18
Rule of 5 violations (Lipinski): 2
SMILES: CCC(=O)N(c1ccccc1)C1CCN(CC1)C(=O)[C@H](Cc1ccc(cc1)Cl)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(cc1C)O)N
InChi: 1S/C46H53ClN6O6/c1-4-43(56)53(35-12-6-5-7-13-35)36-18-20-51(21-19-36)46(59)40(24-31-14-16-34(47)17-15-31)50-42(55)27-49-44(57)41-25-32-10-8-9-11-33(32)28-52(41)45(58)39(48)26-38-29(2)22-37(54)23-30(38)3/h5-17,22-23,36,39-41,54H,4,18-21,24-28,48H2,1-3H3,(H,49,57)(H,50,55)/t39-,40-,41+/m0/s1
InChiKey: VOUSYZRDPWNPDY-YZBUDRBASA-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
Mus musculus	opioid receptor, delta 1	Starlite/ChEMBL	References
Homo sapiens	opioid receptor, delta 1	Starlite/ChEMBL	References
Cavia porcellus	Mu opioid receptor	Starlite/ChEMBL	References
Rattus norvegicus	Mu opioid receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	tm gpcr rhodopsin	Get druggable targets OG5_139759	All targets in OG5_139759
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Get druggable targets OG5_139759	All targets in OG5_139759

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	serotonin receptor	Mu opioid receptor	98 aa	97 aa	35.1 %
Schistosoma japonicum	Octopamine receptor, putative	Mu opioid receptor	98 aa	88 aa	37.5 %
Onchocerca volvulus		Mu opioid receptor	98 aa	96 aa	28.1 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Mu opioid receptor	398 aa	370 aa	27.3 %
Onchocerca volvulus		Mu opioid receptor	398 aa	376 aa	26.3 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Mu opioid receptor	98 aa	80 aa	23.8 %
Brugia malayi	G protein-coupled receptor	Mu opioid receptor	98 aa	90 aa	31.1 %
Onchocerca volvulus		Mu opioid receptor	98 aa	101 aa	20.8 %
Schistosoma japonicum	Neuropeptide Y receptor type 2, putative	Mu opioid receptor	98 aa	79 aa	31.6 %
Onchocerca volvulus		Mu opioid receptor	98 aa	79 aa	31.6 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Mu opioid receptor	98 aa	90 aa	28.9 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Mu opioid receptor	98 aa	97 aa	34.0 %
Loa Loa (eye worm)	hypothetical protein	Mu opioid receptor	98 aa	81 aa	35.8 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Mu opioid receptor	98 aa	96 aa	32.3 %
Echinococcus granulosus	g protein coupled receptor	Mu opioid receptor	98 aa	81 aa	24.7 %
Onchocerca volvulus		Mu opioid receptor	98 aa	80 aa	35.0 %
Onchocerca volvulus	Programmed cell death protein 5 homolog	Mu opioid receptor	398 aa	323 aa	24.1 %
Loa Loa (eye worm)	hypothetical protein	Mu opioid receptor	98 aa	93 aa	30.1 %
Brugia malayi	Melatonin receptor type 1A	Mu opioid receptor	98 aa	80 aa	22.5 %
Onchocerca volvulus		Mu opioid receptor	98 aa	79 aa	27.8 %
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Mu opioid receptor	98 aa	93 aa	33.3 %
Echinococcus multilocularis	neuropeptide FF receptor 2	Mu opioid receptor	98 aa	84 aa	31.0 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Mu opioid receptor	98 aa	97 aa	35.1 %
Brugia malayi	ORL1-like opioid receptor	Mu opioid receptor	98 aa	85 aa	32.9 %
Loa Loa (eye worm)	hypothetical protein	Mu opioid receptor	98 aa	98 aa	31.6 %
Onchocerca volvulus		Mu opioid receptor	98 aa	93 aa	36.6 %
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	Mu opioid receptor	98 aa	97 aa	36.1 %
Schistosoma mansoni	adenoreceptor	Mu opioid receptor	98 aa	88 aa	38.6 %
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	Mu opioid receptor	98 aa	80 aa	37.5 %
Schistosoma japonicum	Octopamine receptor, putative	Mu opioid receptor	98 aa	98 aa	37.8 %
Echinococcus granulosus	neuropeptide receptor	Mu opioid receptor	98 aa	88 aa	22.7 %
Schistosoma japonicum	Neuropeptide Y receptor, putative	Mu opioid receptor	98 aa	88 aa	23.9 %
Schistosoma mansoni	neuropeptide F-like receptor	Mu opioid receptor	98 aa	85 aa	32.9 %
Schistosoma mansoni	biogenic amine receptor	Mu opioid receptor	98 aa	98 aa	35.7 %
Schistosoma mansoni	opsin-like receptor	Mu opioid receptor	98 aa	80 aa	25.0 %
Schistosoma mansoni	neuropeptide receptor	Mu opioid receptor	98 aa	93 aa	24.7 %
Echinococcus multilocularis	biogenic amine (5HT) receptor	Mu opioid receptor	98 aa	96 aa	30.2 %
Echinococcus multilocularis	neuropeptide Y receptor	Mu opioid receptor	98 aa	95 aa	32.6 %
Onchocerca volvulus		Mu opioid receptor	98 aa	79 aa	27.8 %
Onchocerca volvulus		Mu opioid receptor	398 aa	333 aa	26.4 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Mu opioid receptor	98 aa	80 aa	31.2 %
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	Mu opioid receptor	98 aa	99 aa	36.4 %
Echinococcus granulosus	tachykinin peptides receptor 99D	Mu opioid receptor	98 aa	93 aa	25.8 %
Brugia malayi	larval opioid receptor	Mu opioid receptor	98 aa	100 aa	24.0 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Mu opioid receptor	398 aa	334 aa	23.1 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Mu opioid receptor	398 aa	397 aa	22.7 %
Onchocerca volvulus		Mu opioid receptor	98 aa	86 aa	33.7 %
Echinococcus granulosus	neuropeptide Y receptor	Mu opioid receptor	98 aa	95 aa	32.6 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Mu opioid receptor	98 aa	93 aa	25.8 %
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Mu opioid receptor	98 aa	97 aa	37.1 %
Schistosoma mansoni	hypothetical protein	Mu opioid receptor	98 aa	100 aa	23.0 %
Schistosoma mansoni	neuropeptide receptor	Mu opioid receptor	98 aa	95 aa	32.6 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Mu opioid receptor	98 aa	96 aa	36.5 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Mu opioid receptor	398 aa	334 aa	24.9 %
Schistosoma japonicum	Muscarinic acetylcholine receptor M1, putative	Mu opioid receptor	98 aa	95 aa	30.5 %
Echinococcus multilocularis	neuropeptide receptor	Mu opioid receptor	98 aa	88 aa	22.7 %
Schistosoma japonicum	FMRFamide receptor, putative	Mu opioid receptor	98 aa	109 aa	28.4 %
Schistosoma mansoni	growth hormone secretagogue receptor	Mu opioid receptor	98 aa	93 aa	24.7 %
Schistosoma japonicum	Alpha-1A adrenergic receptor, putative	Mu opioid receptor	98 aa	98 aa	34.7 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Mu opioid receptor	98 aa	88 aa	39.8 %
Schistosoma mansoni	neuropeptide F-like receptor	Mu opioid receptor	398 aa	335 aa	20.6 %
Onchocerca volvulus		Mu opioid receptor	398 aa	356 aa	23.9 %
Onchocerca volvulus	26S proteasome non-ATPase regulatory subunit 1 homolog	Mu opioid receptor	98 aa	80 aa	28.8 %
Schistosoma mansoni	biogenic amine receptor	Mu opioid receptor	98 aa	91 aa	38.5 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Mu opioid receptor	98 aa	89 aa	40.4 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Mu opioid receptor	98 aa	92 aa	21.7 %
Onchocerca volvulus		Mu opioid receptor	98 aa	85 aa	24.7 %
Schistosoma japonicum	ko:K04282 thyrotropin-releasing hormone receptor, putative	Mu opioid receptor	98 aa	100 aa	28.0 %
Echinococcus multilocularis	g protein coupled receptor	Mu opioid receptor	98 aa	92 aa	26.1 %
Schistosoma japonicum	Probable G-protein coupled receptor No9, putative	Mu opioid receptor	98 aa	95 aa	28.4 %
Onchocerca volvulus		Mu opioid receptor	98 aa	79 aa	21.5 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Mu opioid receptor	98 aa	92 aa	32.6 %
Loa Loa (eye worm)	hypothetical protein	Mu opioid receptor	98 aa	92 aa	31.5 %
Schistosoma japonicum	ko:K04165 Oamb gene product from transcript, putative	Mu opioid receptor	98 aa	79 aa	34.2 %
Onchocerca volvulus	Phospholipase d-related homolog	Mu opioid receptor	98 aa	82 aa	25.6 %
Schistosoma mansoni	rhodopsin-like orphan GPCR	Mu opioid receptor	98 aa	85 aa	25.9 %
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Mu opioid receptor	98 aa	79 aa	36.7 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Mu opioid receptor	98 aa	97 aa	36.1 %
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	Mu opioid receptor	98 aa	100 aa	29.0 %
Loa Loa (eye worm)	melatonin receptor type 1A	Mu opioid receptor	98 aa	80 aa	22.5 %
Loa Loa (eye worm)	hypothetical protein	Mu opioid receptor	98 aa	96 aa	31.2 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Mu opioid receptor	98 aa	96 aa	31.2 %
Onchocerca volvulus		Mu opioid receptor	98 aa	96 aa	24.0 %
Echinococcus multilocularis	g protein coupled receptor	Mu opioid receptor	98 aa	81 aa	24.7 %
Onchocerca volvulus		Mu opioid receptor	98 aa	81 aa	25.9 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Mu opioid receptor	98 aa	89 aa	38.2 %
Onchocerca volvulus		Mu opioid receptor	98 aa	100 aa	25.0 %
Echinococcus granulosus	g protein coupled receptor	Mu opioid receptor	98 aa	92 aa	26.1 %
Schistosoma japonicum	Neuropeptide Y receptor, putative	Mu opioid receptor	98 aa	100 aa	29.0 %
Loa Loa (eye worm)	hypothetical protein	Mu opioid receptor	98 aa	92 aa	23.9 %
Onchocerca volvulus		Mu opioid receptor	98 aa	89 aa	31.5 %
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	Mu opioid receptor	98 aa	96 aa	29.2 %
Echinococcus granulosus	neuropeptide FF receptor 2	Mu opioid receptor	98 aa	84 aa	31.0 %
Echinococcus granulosus	biogenic amine 5HT receptor	Mu opioid receptor	98 aa	97 aa	35.1 %
Onchocerca volvulus		Mu opioid receptor	98 aa	87 aa	32.2 %
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	Mu opioid receptor	98 aa	100 aa	29.0 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Mu opioid receptor	398 aa	371 aa	27.0 %
Loa Loa (eye worm)	TYRA-2 protein	Mu opioid receptor	98 aa	87 aa	31.0 %
Onchocerca volvulus		Mu opioid receptor	98 aa	81 aa	33.3 %
Onchocerca volvulus		Mu opioid receptor	98 aa	80 aa	22.5 %
Schistosoma mansoni	biogenic amine receptor	Mu opioid receptor	98 aa	97 aa	38.1 %
Echinococcus multilocularis	allatostatin A receptor	Mu opioid receptor	398 aa	341 aa	29.3 %
Echinococcus multilocularis	tachykinin peptides receptor 99D	Mu opioid receptor	98 aa	93 aa	25.8 %
Schistosoma japonicum	Rhodopsin, putative	Mu opioid receptor	398 aa	328 aa	23.2 %
Schistosoma mansoni	neuropeptide receptor	Mu opioid receptor	98 aa	81 aa	34.6 %
Echinococcus granulosus	biogenic amine 5HT receptor	Mu opioid receptor	98 aa	96 aa	30.2 %
Schistosoma mansoni	amine GPCR	Mu opioid receptor	98 aa	86 aa	32.6 %
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	Mu opioid receptor	98 aa	96 aa	29.2 %
Loa Loa (eye worm)	hypothetical protein	Mu opioid receptor	98 aa	85 aa	37.6 %
Loa Loa (eye worm)	neuropeptide F receptor	Mu opioid receptor	98 aa	80 aa	33.8 %
Loa Loa (eye worm)	hypothetical protein	Mu opioid receptor	98 aa	79 aa	29.1 %
Brugia malayi	Serotonin/octopamine receptor family protein 7	Mu opioid receptor	98 aa	85 aa	32.9 %
Echinococcus granulosus	allatostatin A receptor	Mu opioid receptor	398 aa	346 aa	29.5 %
Schistosoma mansoni	thyrotropin-releasing hormone receptor	Mu opioid receptor	98 aa	100 aa	27.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.3504	0.7363	1
Echinococcus multilocularis	carbonic anhydrase	0.1082	0.2151	0.2899
Schistosoma mansoni	hypothetical protein	0.014	0.0122	0.0134
Trichomonas vaginalis	AGC family protein kinase	0.0253	0.0367	1
Brugia malayi	serine/threonine-protein kinase 6	0.0253	0.0367	0.0837
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0214	0.0281	0.0786
Giardia lamblia	Hypothetical protein	0.2068	0.4272	1
Schistosoma mansoni	tyrosine kinase	0.0711	0.1352	0.181
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0214	0.0281	0.7128
Echinococcus granulosus	carbonic anhydrase	0.1082	0.2151	0.2899
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1495	0.3039	0.4109
Echinococcus granulosus	carbonic anhydrase	0.1082	0.2151	0.2899
Schistosoma mansoni	hypothetical protein	0.1082	0.2151	0.2899
Schistosoma mansoni	tyrosine kinase	0.069	0.1306	0.1747
Brugia malayi	hypothetical protein	0.0107	0.0051	0.0068
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1082	0.2151	0.5189
Echinococcus multilocularis	carbonic anhydrase II	0.1999	0.4123	0.5586
Echinococcus granulosus	epidermal growth factor receptor	0.0711	0.1352	0.181
Echinococcus granulosus	roundabout 2	0.0143	0.0129	0.0144
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1082	0.2151	0.5189
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3504	0.7363	1
Schistosoma mansoni	carbonic anhydrase-related	0.1082	0.2151	0.2899
Loa Loa (eye worm)	AUR protein kinase	0.0253	0.0367	0.0498
Plasmodium vivax	cysteine repeat modular protein 2, putative	0.014	0.0122	0.1755
Echinococcus granulosus	carbonic anhydrase	0.1082	0.2151	0.2899
Toxoplasma gondii	aurora kinase	0.0253	0.0367	0.1206
Toxoplasma gondii	histone lysine-specific demethylase	0.0214	0.0281	0.0786
Schistosoma mansoni	nephrin	0.0123	0.0085	0.0084
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1999	0.4123	0.56
Giardia lamblia	Aurora kinase	0.0253	0.0367	0.0808
Plasmodium vivax	hypothetical protein, conserved	0.0214	0.0281	0.7128
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0474	0.0841	0.1114
Loa Loa (eye worm)	hypothetical protein	0.014	0.0122	0.0166
Schistosoma mansoni	cell adhesion molecule	0.0127	0.0095	0.0097
Schistosoma mansoni	tyrosine kinase	0.069	0.1306	0.1747
Giardia lamblia	Hypothetical protein	0.2068	0.4272	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1999	0.4123	0.5586
Brugia malayi	serine/threonine protein kinase 6	0.0253	0.0367	0.0837
Brugia malayi	amine oxidase, flavin-containing family protein	0.0214	0.0281	0.0629
Echinococcus granulosus	epidermal growth factor receptor	0.1312	0.2644	0.3571
Loa Loa (eye worm)	AUR protein kinase	0.0253	0.0367	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0023	0.0032
Brugia malayi	ephrin receptor 1 precursor	0.0586	0.1081	0.2581
Trichomonas vaginalis	AGC family protein kinase	0.0253	0.0367	1
Schistosoma mansoni	serine/threonine protein kinase	0.0253	0.0367	0.0468
Echinococcus granulosus	tm gpcr rhodopsin	0.1261	0.2536	0.3424
Loa Loa (eye worm)	TK/EGFR protein kinase	0.1312	0.2644	0.3591
Brugia malayi	GCC2 and GCC3 family protein	0.014	0.0122	0.024
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0023	0.0032
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0214	0.0281	0.0786
Loa Loa (eye worm)	hypothetical protein	0.2009	0.4145	0.5629
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0253	0.0367	0.059
Entamoeba histolytica	protein kinase, putative	0.0253	0.0367	0.059
Loa Loa (eye worm)	hypothetical protein	0.0214	0.0281	0.0382
Schistosoma mansoni	tyrosine kinase	0.0429	0.0744	0.0982
Echinococcus multilocularis	ephrin type A receptor 4 A	0.1358	0.2744	0.3707
Plasmodium vivax	hypothetical protein, conserved	0.0214	0.0281	0.7128
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0214	0.0281	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0214	0.0281	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0032	0.0043
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.2068	0.4272	1
Plasmodium falciparum	protoporphyrinogen oxidase	0.0214	0.0281	0.0786
Loa Loa (eye worm)	hypothetical protein	0.1082	0.2151	0.2921
Schistosoma mansoni	6-phosphofructokinase	0.3504	0.7363	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0214	0.0281	0.0351
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0253	0.0367	1
Brugia malayi	GCC2 and GCC3 family protein	0.014	0.0122	0.024
Trypanosoma cruzi	aurora B kinase, putative	0.0253	0.0367	0.0468
Loa Loa (eye worm)	carbonic anhydrase 3	0.1999	0.4123	0.56
Echinococcus multilocularis	roundabout 2	0.0143	0.0129	0.0144
Onchocerca volvulus		0.1197	0.2397	0.3234
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0214	0.0281	0.0351
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0214	0.0281	0.7128
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3504	0.7363	1
Giardia lamblia	Hypothetical protein	0.014	0.0122	0.0232
Echinococcus multilocularis		0.0214	0.0281	0.0351
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1999	0.4123	0.5586
Schistosoma mansoni	tyrosine kinase	0.1312	0.2644	0.3571
Loa Loa (eye worm)	AUR protein kinase	0.0253	0.0367	0.0498
Echinococcus multilocularis	epidermal growth factor receptor	0.0711	0.1352	0.181
Entamoeba histolytica	protein kinase, putative	0.0142	0.0126	0.0011
Brugia malayi	Immunoglobulin I-set domain containing protein	0.1022	0.2021	0.4873
Plasmodium vivax	cysteine repeat modular protein 3, putative	0.014	0.0122	0.1755
Loa Loa (eye worm)	hypothetical protein	0.0214	0.0281	0.0382
Echinococcus multilocularis	epidermal growth factor receptor	0.1312	0.2644	0.3571
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1999	0.4123	0.5586
Echinococcus granulosus	insulin receptor	0.0429	0.0744	0.0982
Loa Loa (eye worm)	hypothetical protein	0.0214	0.0281	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0023	0.0032
Schistosoma mansoni	tyrosine kinase	0.069	0.1306	0.1747
Schistosoma mansoni	carbonic anhydrase	0.1082	0.2151	0.2899
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0023	0.0032
Echinococcus granulosus	ephrin type A receptor 4 A	0.1358	0.2744	0.3707
Schistosoma mansoni	amine oxidase	0.0214	0.0281	0.0351
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1082	0.2151	0.5189
Schistosoma mansoni	protein kinase	0.0253	0.0367	0.0468
Echinococcus multilocularis	carbonic anhydrase	0.1082	0.2151	0.2899
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0253	0.0367	0.059
Loa Loa (eye worm)	hypothetical protein	0.1082	0.2151	0.2921
Trichomonas vaginalis	AGC family protein kinase	0.0253	0.0367	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1495	0.3039	0.3894
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0214	0.0281	0.0351
Onchocerca volvulus		0.014	0.0122	0.0134
Onchocerca volvulus	Tyrosine kinase homolog	0.0956	0.1879	0.2528
Onchocerca volvulus		0.3504	0.7363	1
Schistosoma mansoni	carbonic anhydrase-related	0.1082	0.2151	0.2899
Loa Loa (eye worm)	hypothetical protein	0.0214	0.0281	0.0382
Brugia malayi	hypothetical protein	0.0214	0.0281	0.0629
Loa Loa (eye worm)	hypothetical protein	0.3504	0.7363	1
Echinococcus multilocularis		0.0402	0.0685	0.0902
Loa Loa (eye worm)	hypothetical protein	0.0214	0.0281	0.0382
Plasmodium falciparum	carbonic anhydrase	0.1082	0.2151	1
Toxoplasma gondii	hypothetical protein	0.1082	0.2151	1
Brugia malayi	serine/threonine kinase 12	0.0253	0.0367	0.0837
Loa Loa (eye worm)	hypothetical protein	0.1197	0.2397	0.3256
Loa Loa (eye worm)	hypothetical protein	0.014	0.0122	0.0166
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0214	0.0281	0.0351
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.3504	0.7363	1
Brugia malayi	GCC2 and GCC3 family protein	0.014	0.0122	0.024
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0214	0.0281	0.5
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0214	0.0281	0.0351
Brugia malayi	GCC2 and GCC3 family protein	0.014	0.0122	0.024
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3445	0.7235	0.982
Loa Loa (eye worm)	hypothetical protein	0.1082	0.2151	0.2921
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0253	0.0367	0.059
Echinococcus multilocularis	endonuclease reverse transcriptase	0.014	0.0122	0.0134
Trichomonas vaginalis	AGC family protein kinase	0.0253	0.0367	1
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0253	0.0367	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0023	0.0032
Trypanosoma brucei	aurora B kinase	0.0253	0.0367	0.0468
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0711	0.1352	0.181
Brugia malayi	SWIRM domain containing protein	0.0214	0.0281	0.0629
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0253	0.0367	0.1206
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1999	0.4123	0.5586
Brugia malayi	Protein kinase domain containing protein	0.0429	0.0744	0.1758
Schistosoma mansoni	amine oxidase	0.0214	0.0281	0.0351
Schistosoma mansoni	carbonic anhydrase-related	0.1082	0.2151	0.2899
Loa Loa (eye worm)	hypothetical protein	0.0609	0.1132	0.1537
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0023	0.0032
Schistosoma mansoni	tyrosine kinase	0.0711	0.1352	0.181
Loa Loa (eye worm)	tnks protein	0.0094	0.0023	0.0032
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1082	0.2151	0.5189
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0107	0.0051	0.0068
Echinococcus granulosus	carbonic anhydrase II	0.1999	0.4123	0.5586
Brugia malayi	Fibronectin type III domain containing protein	0.0107	0.0051	0.0068
Brugia malayi	Furin-like cysteine rich region family protein	0.1312	0.2644	0.6393
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0051	0.007
Echinococcus multilocularis	aurora kinase A	0.0253	0.0367	0.0468
Plasmodium vivax	hypothetical protein, conserved	0.014	0.0122	0.1755
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1261	0.2536	0.3424
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.014	0.0122	0.1755
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3504	0.7363	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.1022	0.2021	0.2745
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0051	0.007
Entamoeba histolytica	protein kinase domain containing protein	0.0253	0.0367	0.059
Loa Loa (eye worm)	hypothetical protein	0.014	0.0122	0.0166
Loa Loa (eye worm)	TK/INSR protein kinase	0.0429	0.0744	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0023	0.0032
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3504	0.7363	1
Echinococcus multilocularis	carbonic anhydrase	0.1082	0.2151	0.2899
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.3445	0.7235	0.9827
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3445	0.7235	0.9827
Echinococcus granulosus	aurora kinase A	0.0253	0.0367	0.0468
Entamoeba histolytica	protein kinase , putative	0.0253	0.0367	0.059
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0214	0.0281	0.0351
Plasmodium vivax	hypothetical protein, conserved	0.014	0.0122	0.1755
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0023	0.0032
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1999	0.4123	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0474	0.0841	0.1114
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1495	0.3039	0.4109
Loa Loa (eye worm)	TK/EPH protein kinase	0.1546	0.315	0.4278
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0032	0.0043
Mycobacterium ulcerans	hypothetical protein	0.2068	0.4272	1
Schistosoma mansoni	tyrosine kinase	0.0429	0.0744	0.0982
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.1999	0.4123	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0051	0.007
Schistosoma mansoni	ephrin receptor	0.1218	0.2443	0.3297
Giardia lamblia	CEGP1 protein	0.014	0.0122	0.0232
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1495	0.3039	0.4109
Leishmania major	carbonic anhydrase-like protein	0.1999	0.4123	0.5425
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0214	0.0281	0.0786
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1082	0.2151	0.2921
Echinococcus multilocularis	insulin receptor	0.0429	0.0744	0.0982
Trypanosoma brucei	carbonic anhydrase-like protein	0.1999	0.4123	0.5586
Onchocerca volvulus		0.014	0.0122	0.0134
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3445	0.7235	0.9827
Onchocerca volvulus		0.0214	0.0281	0.0351
Echinococcus granulosus	endonuclease reverse transcriptase	0.014	0.0122	0.0134
Loa Loa (eye worm)	toll and interleukin 1 receptor domain-containing protein isoform f	0.0094	0.0023	0.0032
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0214	0.0281	0.0351
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0214	0.0281	0.5
Leishmania major	protein kinase, putative	0.0253	0.0367	0.012
Onchocerca volvulus		0.0919	0.1798	0.2418
Loa Loa (eye worm)	AIDA-1b	0.0094	0.0023	0.0032
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0253	0.0367	0.0468
Entamoeba histolytica	protein kinase, putative	0.0253	0.0367	0.059
Loa Loa (eye worm)	hypothetical protein	0.014	0.0122	0.0166
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1082	0.2151	0.5189
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.2068	0.4272	1
Loa Loa (eye worm)	hypothetical protein	0.3445	0.7235	0.9827

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 9.69	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	ChEMBL.	21128594
EC50 (functional)	= 10.23	Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	ChEMBL.	21128594
EC50 (functional)	= 0.06 nM	Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	ChEMBL.	21128594
EC50 (functional)	= 0.2 nM	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	ChEMBL.	21128594
Emax (functional)	= 31 %	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding relative to control	ChEMBL.	21128594
Emax (functional)	= 37 %	Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding relative to control	ChEMBL.	21128594
IC50 (binding)	= 9.55	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells	ChEMBL.	21128594
IC50 (binding)	= 9.59	Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells	ChEMBL.	21128594
IC50 (functional)	= 0.21 nM	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction	ChEMBL.	21128594
IC50 (functional)	= 4.8 nM	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction	ChEMBL.	21128594
Ki (binding)	= 0.11 nM	Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells	ChEMBL.	21128594
Ki (binding)	= 0.15 nM	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells	ChEMBL.	21128594

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: CHEMBL1649948

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1492324