Detailed information for compound 71007

Basic information

Technical information
  • TDR Targets ID: 71007
  • Name: (1S,6S,12S)-6-[[(2S,3S)-2-amino-3-(4-hydroxy- 2,6-dimethylphenyl)butanoyl]amino]-12-benzyl- 2,2,5,5-tetramethyl-7,10,13-trioxo-3,4-dithia -8,11,14-triazacyclotetradecane-1-carboxylic acid
  • MW: 687.87 | Formula: C33H45N5O7S2
  • H donors: 7 H acceptors: 7 LogP: 0.43 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 3
  • SMILES: O=C1CNC(=O)[C@H](NC(=O)[C@H]([C@H](c2c(C)cc(cc2C)O)C)N)C(C)(C)SSC([C@@H](NC(=O)[C@@H](N1)Cc1ccccc1)C(=O)O)(C)C
  • InChi: 1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26-,27-/m0/s1
  • InChiKey: YQDQZNIFGIPRHF-FVGRXGBHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1S,6S,12S)-6-[[(2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)butanoyl]amino]-12-benzyl-2,2,5,5-tetramethyl-7,10,13-trioxo-3,4-dithia-8,11,14-triazacyclotetradecane-1-carboxylic acid
  • (1S,6S,12S)-6-[[(2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxobutyl]amino]-12-benzyl-2,2,5,5-tetramethyl-7,10,13-trioxo-3,4-dithia-8,11,14-triazacyclotetradecane-1-carboxylic acid
  • (1S,6S,12S)-6-[[(2S,3S)-2-azanyl-3-(4-hydroxy-2,6-dimethyl-phenyl)butanoyl]amino]-2,2,5,5-tetramethyl-7,10,13-trioxo-12-(phenylmethyl)-3,4-dithia-8,11,14-triazacyclotetradecane-1-carboxylic acid
  • (1S,6S,12S)-6-[[(2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)butanoyl]amino]-12-benzyl-7,10,13-triketo-2,2,5,5-tetramethyl-3,4-dithia-8,11,14-triazacyclotetradecane-1-carboxylic acid
  • (4S,7S,13S)-13-[[(2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)butanoyl]amino]-3,3,14,14-tetramethyl-6,9,12-trioxo-7-(phenylmethyl)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
  • (4S,7S,13S)-13-[[(2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)butanoyl]amino]-3,3,14,14-tetramethyl-6,9,12-trioxo-7-(phenylmethyl)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
  • (4S,7S,13S)-13-[[(2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxobutyl]amino]-3,3,14,14-tetramethyl-6,9,12-trioxo-7-(phenylmethyl)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
  • (4S,7S,13S)-13-[[(2S,3S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)butanoyl]amino]-7-(benzyl)-6,9,12-triketo-3,3,14,14-tetramethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus 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 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
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 98 aa 35.7 %
Loa Loa (eye worm) TYRA-2 protein Mu opioid receptor   98 aa 87 aa 31.0 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 90 aa 28.9 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 88 aa 23.9 %
Onchocerca volvulus Mu opioid receptor   98 aa 87 aa 32.2 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Mu opioid receptor   98 aa 80 aa 31.2 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Mu opioid receptor   98 aa 92 aa 32.6 %
Echinococcus multilocularis tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Mu opioid receptor   98 aa 96 aa 32.3 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 88 aa 37.5 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Mu opioid receptor   98 aa 93 aa 33.3 %
Loa Loa (eye worm) neuropeptide F receptor Mu opioid receptor   98 aa 80 aa 33.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 21.5 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 93 aa 24.7 %
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 93 aa 30.1 %
Schistosoma mansoni thyrotropin-releasing hormone receptor Mu opioid receptor   98 aa 100 aa 27.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 85 aa 32.9 %
Echinococcus granulosus thyrotropin releasing hormone receptor Mu opioid receptor   98 aa 100 aa 34.0 %
Echinococcus granulosus neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Echinococcus granulosus tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 36.1 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 34.0 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 97 aa 38.1 %
Brugia malayi Serotonin/octopamine receptor family protein 7 Mu opioid receptor   98 aa 85 aa 32.9 %
Schistosoma mansoni growth hormone secretagogue receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 28.1 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Mu opioid receptor   98 aa 79 aa 36.7 %
Echinococcus granulosus allatostatin A receptor Mu opioid receptor   98 aa 99 aa 33.3 %
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Mu opioid receptor   98 aa 97 aa 37.1 %
Echinococcus granulosus neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Echinococcus granulosus alpha 1A adrenergic receptor Mu opioid receptor   98 aa 92 aa 21.7 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 79 aa 29.1 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 98 aa 31.6 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Mu opioid receptor   98 aa 100 aa 33.0 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 33.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   98 aa 85 aa 34.1 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 85 aa 37.6 %
Schistosoma japonicum Neuropeptide Y receptor type 2, putative Mu opioid receptor   98 aa 79 aa 31.6 %
Echinococcus multilocularis serotonin receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Onchocerca volvulus 26S proteasome non-ATPase regulatory subunit 1 homolog Mu opioid receptor   98 aa 80 aa 28.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 100 aa 25.0 %
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Mu opioid receptor   98 aa 100 aa 28.0 %
Echinococcus multilocularis neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Schistosoma mansoni adenoreceptor Mu opioid receptor   98 aa 88 aa 38.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 96 aa 31.2 %
Schistosoma japonicum Probable G-protein coupled receptor No9, putative Mu opioid receptor   98 aa 95 aa 28.4 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 81 aa 35.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 101 aa 20.8 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 31.5 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Mu opioid receptor   98 aa 98 aa 34.7 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Mu opioid receptor   98 aa 97 aa 36.1 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 40.4 %
Brugia malayi G protein-coupled receptor Mu opioid receptor   98 aa 90 aa 31.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 35.0 %
Echinococcus multilocularis biogenic amine (5HT) receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 100 aa 29.0 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   98 aa 85 aa 32.9 %
Echinococcus granulosus neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Schistosoma japonicum ko:K04165 Oamb gene product from transcript, putative Mu opioid receptor   98 aa 79 aa 34.2 %
Schistosoma japonicum FMRFamide receptor, putative Mu opioid receptor   98 aa 109 aa 28.4 %
Echinococcus multilocularis rhodopsin orphan GPCR Mu opioid receptor   98 aa 80 aa 23.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 25.9 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 98 aa 37.8 %
Loa Loa (eye worm) melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Brugia malayi ORL1-like opioid receptor Mu opioid receptor   98 aa 85 aa 32.9 %
Schistosoma japonicum Rhodopsin, putative Mu opioid receptor   98 aa 122 aa 22.1 %
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   98 aa 89 aa 30.3 %
Onchocerca volvulus Mu opioid receptor   98 aa 85 aa 24.7 %
Schistosoma japonicum Muscarinic acetylcholine receptor M1, putative Mu opioid receptor   98 aa 95 aa 30.5 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 89 aa 31.5 %
Schistosoma mansoni hypothetical protein Mu opioid receptor   98 aa 100 aa 23.0 %
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor Mu opioid receptor   98 aa 80 aa 37.5 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Schistosoma mansoni rhodopsin-like orphan GPCR Mu opioid receptor   98 aa 85 aa 25.9 %
Brugia malayi larval opioid receptor Mu opioid receptor   98 aa 100 aa 24.0 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 23.9 %
Schistosoma mansoni opsin-like receptor Mu opioid receptor   98 aa 80 aa 25.0 %
Echinococcus multilocularis neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 88 aa 39.8 %
Schistosoma mansoni peptide (allatostatin)-like receptor Mu opioid receptor   98 aa 96 aa 36.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 22.5 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Echinococcus multilocularis neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 93 aa 36.6 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 91 aa 38.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Brugia malayi Melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
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 79 aa 31.6 %
Echinococcus multilocularis allatostatin A receptor Mu opioid receptor   98 aa 99 aa 33.3 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 38.2 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 81 aa 34.6 %
Onchocerca volvulus Phospholipase d-related homolog Mu opioid receptor   98 aa 82 aa 25.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 86 aa 33.7 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Mu opioid receptor   98 aa 96 aa 32.3 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Mu opioid receptor   98 aa 99 aa 36.4 %
Schistosoma mansoni amine GPCR Mu opioid receptor   98 aa 86 aa 32.6 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 93 aa 25.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 24.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis conserved hypothetical protein 0.0889 0.4123 0.6783
Schistosoma mansoni coup transcription factor 0.0102 0.0121 0.0121
Brugia malayi photoreceptor-specific nuclear receptor 0.0102 0.0121 0.061
Onchocerca volvulus 0.0102 0.0121 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0102 0.0121 0.0121
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0102 0.0121 0.061
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0102 0.0121 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0102 0.0121 0.061
Loa Loa (eye worm) steroid hormone receptor 0.0102 0.0121 0.061
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1261 0.6022 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0102 0.0121 0.061
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0102 0.0121 0.0121
Onchocerca volvulus Bile acid receptor homolog 0.0102 0.0121 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0102 0.0121 0.061
Schistosoma mansoni retinoic acid receptor RXR 0.0102 0.0121 0.0121
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0102 0.0121 0.061
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0102 0.0121 0.061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0102 0.0121 0.061
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0102 0.0121 0.061
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0102 0.0121 0.0121
Brugia malayi nuclear hormone receptor 0.0102 0.0121 0.061
Schistosoma mansoni thyroid hormone receptor 0.0102 0.0121 0.0121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0102 0.0121 0.061
Schistosoma mansoni thyroid hormone receptor 0.0102 0.0121 0.0121
Brugia malayi steroid hormone receptor 0.0102 0.0121 0.061
Loa Loa (eye worm) hypothetical protein 0.0102 0.0121 0.061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0102 0.0121 0.061
Schistosoma mansoni glucose-6-phosphatase 0.0894 0.4153 0.4153
Brugia malayi Nuclear hormone receptor-like 1 0.0102 0.0121 0.061
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0115 0.0185 0.0933
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0102 0.0121 0.061
Schistosoma mansoni RAR-like nuclear receptor 0.0102 0.0121 0.0121
Schistosoma mansoni steroid hormone receptor ad4bp 0.0102 0.0121 0.0121
Brugia malayi Steroid receptor seven-up type 2 0.0102 0.0121 0.061
Loa Loa (eye worm) hypothetical protein 0.0102 0.0121 0.061
Loa Loa (eye worm) hypothetical protein 0.0102 0.0121 0.061
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0102 0.0121 0.0121
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0102 0.0121 0.061
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0102 0.0121 0.061
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0102 0.0121 0.061
Loa Loa (eye worm) hypothetical protein 0.0102 0.0121 0.061
Loa Loa (eye worm) hypothetical protein 0.0102 0.0121 0.061
Loa Loa (eye worm) hypothetical protein 0.0468 0.1983 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0102 0.0121 0.061
Loa Loa (eye worm) hypothetical protein 0.0102 0.0121 0.061
Onchocerca volvulus Protein ultraspiracle homolog 0.0102 0.0121 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0102 0.0121 0.061
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0389 0.1583 0.2478
Echinococcus granulosus tm gpcr rhodopsin 0.1261 0.6022 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0102 0.0121 0.061
Loa Loa (eye worm) hypothetical protein 0.0102 0.0121 0.061
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0102 0.0121 0.061
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0468 0.1983 1
Brugia malayi nuclear receptor NHR-88 0.0102 0.0121 0.061
Brugia malayi Calcitonin receptor-like protein seb-1 0.0115 0.0185 0.0933
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0102 0.0121 0.061
Brugia malayi ecdysteroid receptor 0.0102 0.0121 0.061
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0102 0.0121 0.0121
Schistosoma mansoni nuclear hormone receptor 0.0102 0.0121 0.0121
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0389 0.1583 0.2478
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0102 0.0121 0.0121
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0102 0.0121 0.061
Echinococcus multilocularis conserved hypothetical protein 0.0889 0.4123 0.6783
Loa Loa (eye worm) hypothetical protein 0.0102 0.0121 0.061

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 168 nM Effective concentration of the compound was measured towards delta opioid receptor using mouse vas deferens(MVD, delta) bioassay in vitro ChEMBL. 8021915
EC50 (binding) = 168 nM Effective concentration of the compound was measured towards delta opioid receptor using mouse vas deferens(MVD, delta) bioassay in vitro ChEMBL. 8021915
EC50 (binding) = 293 nM Effective concentration of the compound was measured towards mu opioid receptor using guinea pig ileum (GPI,mu) bioassay in vitro ChEMBL. 8021915
EC50 (binding) = 293 nM Effective concentration of the compound was measured towards mu opioid receptor using guinea pig ileum (GPI,mu) bioassay in vitro ChEMBL. 8021915
IC50 (binding) = 211 nM Binding affinity of the compound opioid receptor ChEMBL. 8021915
IC50 (binding) = 211 nM Binding affinity of the compound opioid receptor ChEMBL. 8021915
IC50 (binding) = 722 nM Binding affinity of the compound opioid receptor ChEMBL. 8021915
IC50 (binding) = 722 nM Binding affinity of the compound opioid receptor ChEMBL. 8021915
Selectivity (binding) = 1.74 Selectivity is the ratio between EC50 values GPI(mu) and MVD(delta) ChEMBL. 8021915
Selectivity (binding) = 3.4 Selectivity is the ratio between IC50 values of [3H]-CTOP and [3H]-[p-Cl-phe4]-DPDPE ChEMBL. 8021915

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.

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