Detailed information for compound 179778

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 498.657 | Formula: C28H42N4O4
  • H donors: 6 H acceptors: 4 LogP: 3.19 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: N[C@H](C(=O)NCCCCCCNC(=O)[C@@H](Cc1c(C)cc(cc1C)O)N)Cc1c(C)cc(cc1C)O
  • InChi: 1S/C28H42N4O4/c1-17-11-21(33)12-18(2)23(17)15-25(29)27(35)31-9-7-5-6-8-10-32-28(36)26(30)16-24-19(3)13-22(34)14-20(24)4/h11-14,25-26,33-34H,5-10,15-16,29-30H2,1-4H3,(H,31,35)(H,32,36)/t25-,26+
  • InChiKey: RRGJXNYBDGUXGY-WMPKNSHKSA-N  


Substructure search Similarity search

Network

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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
Cavia porcellus Mu opioid receptor Starlite/ChEMBL References
Mus musculus opioid receptor, delta 1 Starlite/ChEMBL References
Rattus norvegicus Delta opioid receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_139759 All targets in OG5_139759
Echinococcus granulosus tm gpcr rhodopsin 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 granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma mansoni adenoreceptor Mu opioid receptor   98 aa 88 aa 38.6 %
Onchocerca volvulus Delta opioid receptor   372 aa 353 aa 21.0 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   398 aa 334 aa 23.1 %
Brugia malayi G protein-coupled receptor Mu opioid receptor   98 aa 90 aa 31.1 %
Schistosoma mansoni peptide (allatostatin)-like receptor Delta opioid receptor   372 aa 353 aa 29.2 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Mu opioid receptor   98 aa 80 aa 31.2 %
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Mu opioid receptor   98 aa 100 aa 28.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 31.6 %
Echinococcus multilocularis neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 21.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 101 aa 20.8 %
Schistosoma mansoni hypothetical protein Mu opioid receptor   98 aa 100 aa 23.0 %
Brugia malayi Serotonin/octopamine receptor family protein 7 Mu opioid receptor   98 aa 85 aa 32.9 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Delta opioid receptor   372 aa 315 aa 28.6 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Mu opioid receptor   98 aa 98 aa 34.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 85 aa 24.7 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Delta opioid receptor   372 aa 320 aa 25.6 %
Echinococcus multilocularis allatostatin A receptor Delta opioid receptor   372 aa 302 aa 28.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 86 aa 33.7 %
Onchocerca volvulus Delta opioid receptor   372 aa 344 aa 22.1 %
Echinococcus granulosus neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Schistosoma japonicum FMRFamide receptor, putative Mu opioid receptor   98 aa 109 aa 28.4 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 96 aa 31.2 %
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Echinococcus granulosus thyrotropin releasing hormone receptor Delta opioid receptor   372 aa 330 aa 24.5 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 93 aa 25.8 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Delta opioid receptor   372 aa 366 aa 22.7 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Mu opioid receptor   98 aa 97 aa 36.1 %
Schistosoma mansoni thyrotropin-releasing hormone receptor Mu opioid receptor   98 aa 100 aa 27.0 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 34.0 %
Schistosoma mansoni rhodopsin-like orphan GPCR Mu opioid receptor   98 aa 85 aa 25.9 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Mu opioid receptor   98 aa 97 aa 37.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 100 aa 25.0 %
Brugia malayi larval opioid receptor Mu opioid receptor   98 aa 100 aa 24.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 98 aa 35.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 87 aa 32.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 35.0 %
Schistosoma japonicum Neuropeptide Y receptor type 2, putative Mu opioid receptor   98 aa 79 aa 31.6 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 88 aa 39.8 %
Brugia malayi Melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Onchocerca volvulus Delta opioid receptor   372 aa 386 aa 22.8 %
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor Mu opioid receptor   98 aa 80 aa 37.5 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 38.2 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 90 aa 28.9 %
Loa Loa (eye worm) melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 22.5 %
Loa Loa (eye worm) TYRA-2 protein Mu opioid receptor   98 aa 87 aa 31.0 %
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Brugia malayi GnHR receptor homolog Delta opioid receptor   372 aa 313 aa 18.5 %
Echinococcus multilocularis rhodopsin orphan GPCR Mu opioid receptor   98 aa 80 aa 23.8 %
Echinococcus multilocularis biogenic amine (5HT) receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Delta opioid receptor   372 aa 330 aa 24.2 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   98 aa 85 aa 32.9 %
Echinococcus multilocularis tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 93 aa 36.6 %
Schistosoma japonicum Probable G-protein coupled receptor No9, putative Mu opioid receptor   98 aa 95 aa 28.4 %
Echinococcus multilocularis neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 33.3 %
Schistosoma mansoni opsin-like receptor Mu opioid receptor   98 aa 80 aa 25.0 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Mu opioid receptor   98 aa 96 aa 31.2 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 36.1 %
Onchocerca volvulus Delta opioid receptor   372 aa 316 aa 26.9 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 100 aa 29.0 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Schistosoma mansoni growth hormone secretagogue receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 93 aa 30.1 %
Onchocerca volvulus Programmed cell death protein 5 homolog Mu opioid receptor   398 aa 323 aa 24.1 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 91 aa 38.5 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 97 aa 38.1 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Mu opioid receptor   98 aa 96 aa 32.3 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 31.5 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 40.4 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Echinococcus granulosus allatostatin A receptor Delta opioid receptor   372 aa 302 aa 27.8 %
Brugia malayi ORL1-like opioid receptor Delta opioid receptor   372 aa 300 aa 24.7 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 81 aa 35.8 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 98 aa 37.8 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   398 aa 397 aa 22.7 %
Echinococcus granulosus neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Schistosoma japonicum Muscarinic acetylcholine receptor M1, putative Mu opioid receptor   98 aa 95 aa 30.5 %
Echinococcus granulosus neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 81 aa 34.6 %
Schistosoma japonicum Rhodopsin, putative Mu opioid receptor   398 aa 328 aa 23.2 %
Loa Loa (eye worm) neuropeptide F receptor Delta opioid receptor   372 aa 317 aa 23.3 %
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 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 24.0 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 98 aa 31.6 %
Echinococcus multilocularis neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Mu opioid receptor   98 aa 99 aa 36.4 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 23.9 %
Onchocerca volvulus Delta opioid receptor   372 aa 349 aa 22.1 %
Echinococcus granulosus alpha 1A adrenergic receptor Mu opioid receptor   98 aa 92 aa 21.7 %
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 85 aa 37.6 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   398 aa 335 aa 20.6 %
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Echinococcus multilocularis serotonin receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Mu opioid receptor   98 aa 93 aa 33.3 %
Echinococcus granulosus tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Schistosoma japonicum ko:K04165 Oamb gene product from transcript, putative Mu opioid receptor   98 aa 79 aa 34.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 28.1 %
Onchocerca volvulus 26S proteasome non-ATPase regulatory subunit 1 homolog Mu opioid receptor   98 aa 80 aa 28.8 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 79 aa 29.1 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Mu opioid receptor   98 aa 79 aa 36.7 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 88 aa 23.9 %
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 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 88 aa 37.5 %
Onchocerca volvulus Phospholipase d-related homolog Mu opioid receptor   98 aa 82 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii hypothetical protein 0.0164 0.1121 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0028 0.0017 0.0022
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0164 0.1121 0.1435
Schistosoma mansoni sodium/chloride dependent transporter 0.0967 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0967 0.7616 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.003 0.0033 0.5
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0164 0.1121 0.1091
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.003 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.1121 0.1472
Echinococcus multilocularis sodium and chloride dependent glycine 0.0164 0.1121 0.1091
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.009 0.0518 0.0486
Loa Loa (eye worm) solute carrier family 6 member 4 0.0967 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.1121 0.1472
Schistosoma mansoni lipoxygenase 0.009 0.0518 0.068
Plasmodium vivax amine transporter, putative 0.0164 0.1121 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0164 0.1121 0.5
Loa Loa (eye worm) hypothetical protein 0.0967 0.7616 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.003 0.0033 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0967 0.7616 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0164 0.1121 0.1472
Loa Loa (eye worm) hypothetical protein 0.0084 0.0476 0.0625
Loa Loa (eye worm) hypothetical protein 0.0967 0.7616 1
Onchocerca volvulus 0.0967 0.7616 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.1121 0.1472
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0164 0.1121 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0164 0.1121 0.1091
Brugia malayi hypoxia-induced factor 1 0.0078 0.0423 0.0515
Plasmodium vivax hypothetical protein, conserved 0.0164 0.1121 0.5
Brugia malayi hypothetical protein 0.0084 0.0476 0.0584
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1261 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.003 0.0033 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0164 0.1121 0.1472
Loa Loa (eye worm) hypothetical protein 0.0164 0.1121 0.1472
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0164 0.1121 0.1091
Loa Loa (eye worm) hypothetical protein 0.0164 0.1121 0.1472
Loa Loa (eye worm) norepinephrine transporter 0.0967 0.7616 1
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.039 0.2947 0.3869
Onchocerca volvulus 0.0164 0.1121 0.1472
Schistosoma mansoni sodium-dependent amino acid transporter 0.0164 0.1121 0.1472
Echinococcus granulosus tumor protein p63 0.0175 0.1207 0.1178
Plasmodium falciparum amino acid transporter, putative 0.0164 0.1121 0.5
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.039 0.2947 0.2923
Schistosoma mansoni hypothetical protein 0.039 0.2947 0.3869
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0164 0.1121 0.1472
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0164 0.1121 0.1435
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0164 0.1121 0.1435
Echinococcus multilocularis tumor protein p63 0.0175 0.1207 0.1178
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0164 0.1121 0.1472
Echinococcus multilocularis sodium and chloride dependent glycine 0.0164 0.1121 0.1091
Echinococcus multilocularis serotonin transporter 0.0967 0.7616 0.7608
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0164 0.1121 0.1091
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0164 0.1121 0.1472
Treponema pallidum sodium- and chloride- dependent transporter 0.0967 0.7616 0.5
Onchocerca volvulus 0.0164 0.1121 0.1472
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0164 0.1121 0.5
Onchocerca volvulus 0.0164 0.1121 0.1472
Echinococcus granulosus arachidonate 5 lipoxygenase 0.009 0.0518 0.0486
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0164 0.1121 0.1472
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0164 0.1121 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.1121 0.1472
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0164 0.1121 0.1091
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.003 0.0033 0.0043
Loa Loa (eye worm) serotonin transporter b 0.0967 0.7616 1
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.039 0.2947 0.2923
Schistosoma mansoni lipoxygenase 0.0053 0.0221 0.029
Loa Loa (eye worm) hypothetical protein 0.0164 0.1121 0.1472
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0164 0.1121 0.1091
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0164 0.1121 0.1472
Brugia malayi indoleamine 2,3-dioxygenase 0.039 0.2947 0.3843
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0164 0.1121 0.1472
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0164 0.1121 0.1472
Schistosoma mansoni sodium/chloride dependent transporter 0.0164 0.1121 0.1472
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0164 0.1121 0.1472
Schistosoma mansoni sodium/chloride dependent transporter 0.0164 0.1121 0.1472
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0164 0.1121 0.1091
Loa Loa (eye worm) hypoxia-induced factor 1 0.0078 0.0423 0.0556
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0967 0.7616 1
Brugia malayi hypothetical protein 0.0164 0.1121 0.1435
Echinococcus granulosus sodium and chloride dependent glycine 0.0164 0.1121 0.1091
Toxoplasma gondii hypothetical protein 0.0164 0.1121 0.5
Echinococcus granulosus serotonin transporter 0.0967 0.7616 0.7608
Schistosoma mansoni hypothetical protein 0.039 0.2947 0.3869
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0164 0.1121 0.1435
Plasmodium falciparum transporter, putative 0.0164 0.1121 0.5
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0164 0.1121 0.1091

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.08 nM Opioid receptor mu 1 agonism in guinea pig ileum ChEMBL. 12852751
IC50 (functional) = 3.08 nM Opioid receptor mu 1 agonism in guinea pig ileum ChEMBL. 12852751
IC50 (functional) > 10 uM Opioid receptor delta 1 agonism in mouse vas deferens ChEMBL. 12852751
IC50 (functional) > 10 uM Opioid receptor delta 1 agonism in mouse vas deferens ChEMBL. 12852751
Kd (functional) = 6.1 Concentration required to double the agonist concentration to achieve the original response for Opioid receptor delta 1 ChEMBL. 12852751
Ki (binding) = 0.053 nM Binding affinity for Opioid receptor mu 1 using [3H]-DAGO in rat brain P2 synaptosomal preparation ChEMBL. 12852751
Ki (binding) = 0.053 nM Binding affinity for Opioid receptor mu 1 using [3H]-DAGO in rat brain P2 synaptosomal preparation ChEMBL. 12852751
Ki (binding) = 46.1 nM Binding affinity for Opioid receptor delta 1 using [3H]-DPDPE in rat brain P2 synaptosomal preparation ChEMBL. 12852751
Ki (binding) = 46.1 nM Binding affinity for Opioid receptor delta 1 using [3H]-DPDPE in rat brain P2 synaptosomal preparation ChEMBL. 12852751
pA2 (functional) = 6.1 Concentration required to double the agonist concentration to achieve the original response for Opioid receptor delta 1 ChEMBL. 12852751
Ratio (binding) = 870 Receptor selectivity for the delta to mu opioid receptor ChEMBL. 12852751

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

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.