TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 764.351 | Formula: C44H50ClN5O5
H donors: 3 H acceptors: 5 LogP: 6.31 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: CCC(=O)N(c1ccccc1)C1CCN(CC1)C(=O)[C@@H](Cc1ccc(cc1)Cl)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(cc1C)O)N
InChi: 1S/C44H50ClN5O5/c1-4-41(52)50(34-12-6-5-7-13-34)35-18-20-48(21-19-35)44(55)39(24-30-14-16-33(45)17-15-30)47-42(53)40-25-31-10-8-9-11-32(31)27-49(40)43(54)38(46)26-37-28(2)22-36(51)23-29(37)3/h5-17,22-23,35,38-40,51H,4,18-21,24-27,46H2,1-3H3,(H,47,53)/t38-,39+,40-/m0/s1
InChiKey: UAOWACOVBZWCJS-UHULTCERSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	opioid receptor, delta 1	Starlite/ChEMBL	References
Mus musculus	opioid receptor, delta 1	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	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 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Mu opioid receptor	398 aa	334 aa	23.1 %
Onchocerca volvulus		Mu opioid receptor	398 aa	376 aa	26.3 %
Schistosoma mansoni	neuropeptide F-like receptor	Mu opioid receptor	398 aa	335 aa	20.6 %
Echinococcus granulosus	allatostatin A receptor	Mu opioid receptor	398 aa	346 aa	29.5 %
Onchocerca volvulus		Mu opioid receptor	398 aa	333 aa	26.4 %
Onchocerca volvulus		Mu opioid receptor	398 aa	356 aa	23.9 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Mu opioid receptor	398 aa	370 aa	27.3 %
Schistosoma japonicum	Rhodopsin, putative	Mu opioid receptor	398 aa	328 aa	23.2 %
Echinococcus multilocularis	allatostatin A receptor	Mu opioid receptor	398 aa	341 aa	29.3 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Mu opioid receptor	398 aa	397 aa	22.7 %
Onchocerca volvulus	Programmed cell death protein 5 homolog	Mu opioid receptor	398 aa	323 aa	24.1 %

Ranking Plot

Putative Targets List

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

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.48 nM	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 90 mins by liquid scintillation counting analysis	ChEMBL.	24648867
EC50 (functional)	= 6.2 nM	Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 90 mins by liquid scintillation counting analysis	ChEMBL.	24648867
Emax (functional)	= 16 %	Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 90 mins by liquid scintillation counting analysis relative to control	ChEMBL.	24648867
Emax (functional)	= 18 %	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 90 mins by liquid scintillation counting analysis relative to control	ChEMBL.	24648867
IC50 (binding)	= 74 nM	Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction	ChEMBL.	24648867
Inhibition (binding)	= 0 %	Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction at 1 uM relative to control	ChEMBL.	24648867
Ki (binding)	= 0.38 nM	Displacement of [3H]DPDPE from human delta opioid receptor expressed in human/mouse HN9.10 cell membranes after 3 hrs by liquid scintillation counting analysis	ChEMBL.	24648867
Ki (binding)	= 22 nM	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in human/mouse HN9.10 cell membranes after 3 hrs by liquid scintillation counting analysis	ChEMBL.	24648867

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: CHEMBL2408013

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1774511