Detailed information for compound 81505

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.466 | Formula: C20H30N2
  • H donors: 0 H acceptors: 0 LogP: 4.45 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1C2Cc3c([C@@]1(C)CCN2CC1CC1)cc(cc3)N(C)C
  • InChi: 1S/C20H30N2/c1-14-19-11-16-7-8-17(21(3)4)12-18(16)20(14,2)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19H,5-6,9-11,13H2,1-4H3/t14-,19?,20-/m0/s1
  • InChiKey: YXOMKMVDHCVFCR-JUJMCKSGSA-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
Cavia porcellus Kappa opioid receptor Starlite/ChEMBL References
Homo sapiens opioid receptor, delta 1 Starlite/ChEMBL References
Cavia porcellus Mu 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
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 25.8 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Mu opioid receptor   98 aa 96 aa 32.3 %
Onchocerca volvulus Mu opioid receptor   98 aa 89 aa 31.5 %
Schistosoma mansoni peptide (allatostatin)-like receptor Mu opioid receptor   98 aa 96 aa 36.5 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Kappa opioid receptor   380 aa 313 aa 26.2 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Loa Loa (eye worm) neuropeptide F receptor Mu opioid receptor   98 aa 80 aa 33.8 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 24.2 %
Onchocerca volvulus Programmed cell death protein 5 homolog Kappa opioid receptor   380 aa 316 aa 22.2 %
Onchocerca volvulus Phospholipase d-related homolog Kappa opioid receptor   380 aa 326 aa 20.9 %
Schistosoma japonicum ko:K04255 opsin 4 (melanopsin), putative Kappa opioid receptor   380 aa 352 aa 20.2 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Kappa opioid receptor   380 aa 334 aa 25.4 %
Echinococcus multilocularis neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 31.6 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 98 aa 35.7 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Mu opioid receptor   98 aa 80 aa 31.2 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 85 aa 37.6 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 23.9 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 93 aa 25.8 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 40.4 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 21.5 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Mu opioid receptor   98 aa 93 aa 33.3 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 93 aa 30.1 %
Schistosoma japonicum Rhodopsin, putative Kappa opioid receptor   380 aa 329 aa 23.1 %
Loa Loa (eye worm) melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 88 aa 23.9 %
Echinococcus multilocularis biogenic amine (5HT) receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Loa Loa (eye worm) TYRA-2 protein Mu opioid receptor   98 aa 87 aa 31.0 %
Echinococcus granulosus alpha 1A adrenergic receptor Mu opioid receptor   98 aa 92 aa 21.7 %
Echinococcus granulosus thyrotropin releasing hormone receptor Kappa opioid receptor   380 aa 392 aa 25.8 %
Schistosoma mansoni amine GPCR Mu opioid receptor   98 aa 86 aa 32.6 %
Onchocerca volvulus Kappa opioid receptor   380 aa 374 aa 27.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 35.0 %
Echinococcus multilocularis growth hormone secretagogue receptor type 1 Kappa opioid receptor   380 aa 306 aa 21.2 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Mu opioid receptor   98 aa 98 aa 34.7 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Kappa opioid receptor   380 aa 389 aa 25.7 %
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 90 aa 28.9 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 31.5 %
Echinococcus granulosus neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Echinococcus multilocularis allatostatin A receptor Kappa opioid receptor   380 aa 313 aa 27.2 %
Schistosoma mansoni adenoreceptor Mu opioid receptor   98 aa 88 aa 38.6 %
Schistosoma japonicum Muscarinic acetylcholine receptor M1, putative Mu opioid receptor   98 aa 95 aa 30.5 %
Schistosoma japonicum ko:K04165 Oamb gene product from transcript, putative Mu opioid receptor   98 aa 79 aa 34.2 %
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 %
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 38.2 %
Onchocerca volvulus Mitogen-activated protein kinase kinase kinase 8 homolog Kappa opioid receptor   380 aa 395 aa 20.3 %
Brugia malayi larval opioid receptor Mu opioid receptor   98 aa 100 aa 24.0 %
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 japonicum FMRFamide receptor, putative Mu opioid receptor   98 aa 109 aa 28.4 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Mu opioid receptor   98 aa 97 aa 36.1 %
Echinococcus multilocularis tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Echinococcus granulosus tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 96 aa 31.2 %
Brugia malayi GnHR receptor homolog Kappa opioid receptor   380 aa 341 aa 20.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 22.5 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Echinococcus granulosus neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Echinococcus granulosus somatostatin receptor Kappa opioid receptor   380 aa 342 aa 19.6 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 97 aa 38.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 100 aa 25.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 28.1 %
Schistosoma mansoni opsin-like receptor Mu opioid receptor   98 aa 80 aa 25.0 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 88 aa 37.5 %
Echinococcus multilocularis neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Echinococcus granulosus allatostatin A receptor Kappa opioid receptor   380 aa 317 aa 28.4 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 100 aa 29.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 86 aa 33.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 25.9 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 91 aa 38.5 %
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor Mu opioid receptor   98 aa 80 aa 37.5 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 81 aa 34.6 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   98 aa 85 aa 32.9 %
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 %
Brugia malayi G protein-coupled receptor Mu opioid receptor   98 aa 90 aa 31.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 93 aa 36.6 %
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Mu opioid receptor   98 aa 100 aa 28.0 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Kappa opioid receptor   380 aa 326 aa 25.2 %
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 79 aa 29.1 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Mu opioid receptor   98 aa 79 aa 36.7 %
Echinococcus multilocularis serotonin receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 98 aa 31.6 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 88 aa 39.8 %
Brugia malayi ORL1-like opioid receptor Kappa opioid receptor   380 aa 312 aa 25.3 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 320 aa 20.6 %
Schistosoma japonicum Probable G-protein coupled receptor No9, putative Mu opioid receptor   98 aa 95 aa 28.4 %
Schistosoma mansoni rhodopsin-like orphan GPCR Mu opioid receptor   98 aa 85 aa 25.9 %
Onchocerca volvulus Mu opioid receptor   98 aa 85 aa 24.7 %
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Mu opioid receptor   98 aa 97 aa 37.1 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Mu opioid receptor   98 aa 99 aa 36.4 %
Echinococcus multilocularis neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 87 aa 32.2 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 319 aa 21.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Kappa opioid receptor   380 aa 403 aa 23.3 %
Schistosoma mansoni thyrotropin-releasing hormone receptor Mu opioid receptor   98 aa 100 aa 27.0 %
Onchocerca volvulus Phosphoinositide 3-kinase adapter subunit homolog Kappa opioid receptor   380 aa 323 aa 22.6 %
Schistosoma mansoni rhodopsin-like orphan GPCR Kappa opioid receptor   380 aa 379 aa 22.4 %
Schistosoma japonicum Neuropeptide Y receptor type 2, putative Mu opioid receptor   98 aa 79 aa 31.6 %
Brugia malayi Melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 27.4 %
Echinococcus multilocularis rhodopsin orphan GPCR Mu opioid receptor   98 aa 80 aa 23.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 33.3 %
Onchocerca volvulus Mu opioid receptor   98 aa 101 aa 20.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Schistosoma mansoni growth hormone secretagogue receptor Mu opioid receptor   98 aa 93 aa 24.7 %
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 %
Onchocerca volvulus 26S proteasome non-ATPase regulatory subunit 1 homolog Mu opioid receptor   98 aa 80 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0448 0.0369 0.0812
Loa Loa (eye worm) glutaminase 2 0.027 0.0143 1
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0473 0.04 0.04
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0676 0.0657 0.5
Mycobacterium ulcerans glutaminase 0.027 0.0143 0.0143
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0433 0.0349 0.0349
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0477 0.0404 0.0404
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0433 0.0349 0.0349
Trichomonas vaginalis conserved hypothetical protein 0.0477 0.0404 1
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.8056 1 1
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.8056 1 1
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0335 0.0225 0.0225
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0335 0.0225 0.0225
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0335 0.0225 0.0225
Treponema pallidum penicillin-binding protein (pbp-2) 0.0477 0.0404 0.4734
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.2467 0.2923 1
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.016 0.0004 0.0004
Treponema pallidum penicillin-binding protein (pbp-3) 0.0832 0.0854 1
Loa Loa (eye worm) glutaminase 0.027 0.0143 1
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0169 0.0014 0.0014
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0674 0.0654 0.0654
Echinococcus granulosus tm gpcr rhodopsin 0.0636 0.0606 1
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0433 0.0349 0.0349
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0473 0.04 0.04
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0473 0.04 0.04
Treponema pallidum penicillin-binding protein (pbp-1) 0.0676 0.0657 0.7692
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0477 0.0404 0.0404
Brugia malayi glutaminase DH11.1 0.027 0.0143 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0636 0.0606 1
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0169 0.0014 0.0014
Chlamydia trachomatis transglycolase/transpeptidase 0.0676 0.0657 1

Activities

Activity type Activity value Assay description Source Reference
AD50 (functional) 0 mg kg-1 Anaigesic dose of the compound required for its phenazocine antagonistic activity in rat after peroral administration; ? = Questionable activity ChEMBL. 7359514
ED50 (functional) = 0.79 mg kg-1 Effective dose of the compound required for its agonist activity in mouse by acetylcholine writhing test after sc administration ChEMBL. 7359514
ED50 (functional) = 0.79 mg kg-1 Effective dose of the compound required for its agonist activity in mouse by acetylcholine writhing test after sc administration ChEMBL. 7359514
Ki (binding) = 18 nM Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand ChEMBL. 12593663
Ki (binding) = 18 nM Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand ChEMBL. 12593663
Ki (binding) = 33 nM Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U69,593 as radioligand ChEMBL. 10673107
Ki (binding) = 33 nM Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand ChEMBL. 12593663
Ki (binding) = 33 nM Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U69,593 as radioligand ChEMBL. 10673107
Ki (binding) = 33 nM Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand ChEMBL. 12593663
Ki (binding) = 46 nM Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]-DAMGO as radioligand ChEMBL. 12593663
Ki (binding) = 46 nM Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]-DAMGO as radioligand ChEMBL. 12593663
Ki (binding) = 82 nM Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]-DAMGO as radioligand ChEMBL. 10673107
Ki (binding) = 82 nM Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]-DAMGO as radioligand ChEMBL. 12593663
Ki (binding) = 82 nM Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]-DAMGO as radioligand ChEMBL. 10673107
Ki (binding) = 82 nM Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]-DAMGO as radioligand ChEMBL. 12593663
Ki (binding) = 810 nM Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]-naltrindole as radioligand ChEMBL. 12593663
Ki (binding) = 810 nM Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]-naltrindole as radioligand ChEMBL. 12593663
Ki (binding) = 1500 nM Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]-Naltrindole as radioligand ChEMBL. 10673107
Ki (binding) = 1500 nM Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]-naltrindole as radioligand ChEMBL. 12593663
Ki (binding) = 1500 nM Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]-Naltrindole as radioligand ChEMBL. 10673107
Ki (binding) = 1500 nM Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]-naltrindole as radioligand ChEMBL. 12593663
Ki (binding) = 3000 nM Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand ChEMBL. 12593663
Ki (binding) = 3000 nM Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand ChEMBL. 12593663
Ki (binding) = 8400 nM Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]-naltrindole as radioligand ChEMBL. 12593663
Ki (binding) = 8400 nM Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]-naltrindole as radioligand ChEMBL. 12593663
Ki (binding) = 50000 nM Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]-DAMGO as radioligand ChEMBL. 12593663
Ki (binding) = 50000 nM Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]-DAMGO as radioligand ChEMBL. 12593663
Ratio (binding) = 3 Ratio of binding affinity of Opioid receptor kappa 1 to Opioid receptor mu 1 to Opioid receptor delta 1; kappa:mu:delta = 3:2:1 ChEMBL. 12593663
Ratio (binding) = 45 Ratio of binding affinity of Opioid receptor kappa 1 to Opioid receptor mu 1 to Opioid receptor delta 1; kappa:mu:delta = 45:18:1 ChEMBL. 12593663
Ratio (binding) = 46 Ratio of binding affinity of Opioid receptor kappa 1 to Opioid receptor mu 1 to Opioid receptor delta 1; kappa:mu:delta = 46:18:1 ChEMBL. 12593663
Ratio (binding) = 3 Ratio of binding affinity of Opioid receptor kappa 1 to Opioid receptor mu 1 to Opioid receptor delta 1; kappa:mu:delta = 3:2:1 ChEMBL. 12593663
Ratio (binding) = 45 Ratio of binding affinity of Opioid receptor kappa 1 to Opioid receptor mu 1 to Opioid receptor delta 1; kappa:mu:delta = 45:18:1 ChEMBL. 12593663
Ratio (binding) = 46 Ratio of binding affinity of Opioid receptor kappa 1 to Opioid receptor mu 1 to Opioid receptor delta 1; kappa:mu:delta = 46:18:1 ChEMBL. 12593663

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

3 literature references were collected for this gene.

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