Detailed information for compound 49511

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 721.798 | Formula: C40H43N5O8
  • H donors: 7 H acceptors: 6 LogP: 0.39 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCC(=O)NCC(=O)N1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2c2c(C4)c3C[C@@]4(O)[C@H]5Cc6c7[C@]4([C@H](c3[nH]2)Oc7c(O)cc6)CCN5CC2CC2)c(cc1)O)O
  • InChi: 1S/C40H43N5O8/c41-15-27(48)42-16-28(49)45-10-8-38-30-20-4-6-24(47)34(30)53-36(38)32-22(14-40(38,51)26(45)12-20)21-13-39(50)25-11-19-3-5-23(46)33-29(19)37(39,35(52-33)31(21)43-32)7-9-44(25)17-18-1-2-18/h3-6,18,25-26,35-36,43,46-47,50-51H,1-2,7-17,41H2,(H,42,48)/t25-,26-,35+,36+,37+,38+,39-,40-/m1/s1
  • InChiKey: QSSOIVBGIOETKQ-FUCLXHLGSA-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
Homo sapiens opioid receptor, delta 1 Starlite/ChEMBL References
Cavia porcellus Mu opioid receptor Starlite/ChEMBL References
Cavia porcellus Kappa 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 japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 38.2 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Kappa opioid receptor   380 aa 326 aa 25.2 %
Echinococcus multilocularis allatostatin A receptor Kappa opioid receptor   380 aa 313 aa 27.2 %
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Echinococcus granulosus allatostatin A receptor Kappa opioid receptor   380 aa 317 aa 28.4 %
Onchocerca volvulus Mu opioid receptor   98 aa 85 aa 24.7 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Mu opioid receptor   98 aa 80 aa 31.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 21.5 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 81 aa 35.8 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Mu opioid receptor   98 aa 79 aa 36.7 %
Onchocerca volvulus Programmed cell death protein 5 homolog Kappa opioid receptor   380 aa 316 aa 22.2 %
Schistosoma mansoni peptide (allatostatin)-like receptor Mu opioid receptor   98 aa 96 aa 36.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 25.9 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 24.2 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 319 aa 21.6 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 98 aa 35.7 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 23.9 %
Schistosoma mansoni adenoreceptor Mu opioid receptor   98 aa 88 aa 38.6 %
Schistosoma mansoni opsin-like receptor Mu opioid receptor   98 aa 80 aa 25.0 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 98 aa 37.8 %
Echinococcus multilocularis biogenic amine (5HT) receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 87 aa 32.2 %
Schistosoma mansoni rhodopsin-like orphan GPCR Kappa opioid receptor   380 aa 379 aa 22.4 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Kappa opioid receptor   380 aa 313 aa 26.2 %
Echinococcus granulosus thyrotropin releasing hormone receptor Kappa opioid receptor   380 aa 392 aa 25.8 %
Onchocerca volvulus Kappa opioid receptor   380 aa 374 aa 27.5 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Kappa opioid receptor   380 aa 389 aa 25.7 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 79 aa 29.1 %
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 36.1 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 98 aa 31.6 %
Echinococcus granulosus tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
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 %
Brugia malayi Serotonin/octopamine receptor family protein 7 Mu opioid receptor   98 aa 85 aa 32.9 %
Echinococcus multilocularis serotonin receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma japonicum Neuropeptide Y receptor type 2, putative Mu opioid receptor   98 aa 79 aa 31.6 %
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 %
Schistosoma japonicum Probable G-protein coupled receptor No9, putative Mu opioid receptor   98 aa 95 aa 28.4 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
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 96 aa 31.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 101 aa 20.8 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 25.8 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 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 Phospholipase d-related homolog Kappa opioid receptor   380 aa 326 aa 20.9 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 97 aa 38.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 89 aa 31.5 %
Onchocerca volvulus Phosphoinositide 3-kinase adapter subunit homolog Kappa opioid receptor   380 aa 323 aa 22.6 %
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 33.3 %
Brugia malayi GnHR receptor homolog Kappa opioid receptor   380 aa 341 aa 20.2 %
Schistosoma japonicum ko:K04255 opsin 4 (melanopsin), putative Kappa opioid receptor   380 aa 352 aa 20.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Mu opioid receptor   98 aa 97 aa 37.1 %
Schistosoma mansoni rhodopsin-like orphan GPCR Mu opioid receptor   98 aa 85 aa 25.9 %
Echinococcus multilocularis rhodopsin orphan GPCR Mu opioid receptor   98 aa 80 aa 23.8 %
Echinococcus multilocularis tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 320 aa 20.6 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Mu opioid receptor   98 aa 96 aa 32.3 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Kappa opioid receptor   380 aa 403 aa 23.3 %
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 93 aa 25.8 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 88 aa 39.8 %
Loa Loa (eye worm) TYRA-2 protein Mu opioid receptor   98 aa 87 aa 31.0 %
Echinococcus granulosus neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 91 aa 38.5 %
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 %
Onchocerca volvulus Mu opioid receptor   98 aa 100 aa 25.0 %
Loa Loa (eye worm) neuropeptide F receptor Mu opioid receptor   98 aa 80 aa 33.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 22.5 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 93 aa 30.1 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Kappa opioid receptor   380 aa 334 aa 25.4 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 35.0 %
Onchocerca volvulus 26S proteasome non-ATPase regulatory subunit 1 homolog Mu opioid receptor   98 aa 80 aa 28.8 %
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 somatostatin receptor Kappa opioid receptor   380 aa 342 aa 19.6 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 31.5 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   98 aa 85 aa 32.9 %
Schistosoma mansoni hypothetical protein Mu opioid receptor   98 aa 100 aa 23.0 %
Onchocerca volvulus Mitogen-activated protein kinase kinase kinase 8 homolog Kappa opioid receptor   380 aa 395 aa 20.3 %
Schistosoma japonicum FMRFamide receptor, putative Mu opioid receptor   98 aa 109 aa 28.4 %
Echinococcus granulosus neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
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 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Mu opioid receptor   98 aa 92 aa 32.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 93 aa 36.6 %
Schistosoma mansoni growth hormone secretagogue receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 34.0 %
Loa Loa (eye worm) melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 86 aa 33.7 %
Schistosoma mansoni thyrotropin-releasing hormone receptor Mu opioid receptor   98 aa 100 aa 27.0 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 27.4 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 88 aa 23.9 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 90 aa 28.9 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Mu opioid receptor   98 aa 98 aa 34.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Schistosoma mansoni amine GPCR Mu opioid receptor   98 aa 86 aa 32.6 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Echinococcus multilocularis growth hormone secretagogue receptor type 1 Kappa opioid receptor   380 aa 306 aa 21.2 %
Schistosoma japonicum Muscarinic acetylcholine receptor M1, putative Mu opioid receptor   98 aa 95 aa 30.5 %
Brugia malayi Melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Echinococcus multilocularis neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Mu opioid receptor   98 aa 100 aa 28.0 %
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Brugia malayi ORL1-like opioid receptor Kappa opioid receptor   380 aa 312 aa 25.3 %
Echinococcus granulosus alpha 1A adrenergic receptor Mu opioid receptor   98 aa 92 aa 21.7 %
Echinococcus granulosus neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Echinococcus multilocularis neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Echinococcus multilocularis neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Mu opioid receptor   98 aa 96 aa 31.2 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 81 aa 34.6 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Schistosoma japonicum Rhodopsin, putative Kappa opioid receptor   380 aa 329 aa 23.1 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Mu opioid receptor   98 aa 99 aa 36.4 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Mu opioid receptor   98 aa 93 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii cathepsin CPL 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1958 1 1
Loa Loa (eye worm) hypothetical protein 0.0937 0.2293 0.0915
Leishmania major cathepsin L-like protease 0.1441 0.6092 1
Onchocerca volvulus 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Onchocerca volvulus Cathepsin L homolog 0.1441 0.6092 1
Brugia malayi Cathepsin L-like precursor 0.0937 0.2293 0.0914
Leishmania major cathepsin L-like protease 0.1441 0.6092 1
Brugia malayi Cathepsin L-like precursor 0.1441 0.6092 0.5393
Schistosoma mansoni cathepsin F (C01 family) 0.0937 0.2293 0.0915
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1441 0.6092 1
Trypanosoma cruzi cysteine peptidase, putative 0.1441 0.6092 0.5393
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1441 0.6092 0.6092
Trypanosoma cruzi cysteine peptidase, putative 0.1441 0.6092 0.5393
Loa Loa (eye worm) hypothetical protein 0.1958 1 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1958 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0835 0.1518 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Echinococcus granulosus cathepsin b 0.1958 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Loa Loa (eye worm) cysteine protease 0.1441 0.6092 0.5393
Leishmania major cathepsin L-like protease 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1441 0.6092 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.1441 0.6092 0.6092
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0835 0.1518 0.0001
Echinococcus multilocularis cathepsin b 0.1958 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.1441 0.6092 0.5393
Echinococcus multilocularis cathepsin L 0.0835 0.1518 0.1518
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1958 1 1
Echinococcus multilocularis cysteine protease 0.1441 0.6092 0.6092
Echinococcus multilocularis cysteine protease 0.1441 0.6092 0.6092
Plasmodium falciparum cysteine proteinase falcipain 2b 0.1441 0.6092 1
Brugia malayi Cathepsin L-like precursor 0.1441 0.6092 0.5393
Echinococcus granulosus cathepsin l1 0.1441 0.6092 0.6092
Brugia malayi Cathepsin L-like precursor 0.1441 0.6092 0.5393
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Loa Loa (eye worm) hypothetical protein 0.1441 0.6092 0.5393
Echinococcus multilocularis cathepsin L cysteine protease 0.1441 0.6092 0.6092
Onchocerca volvulus 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0937 0.2293 0.1696
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1441 0.6092 1
Schistosoma mansoni cathepsin F (C01 family) 0.1441 0.6092 0.5393
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Entamoeba histolytica cysteine protease, putative 0.1441 0.6092 1
Entamoeba histolytica cysteine proteinase, putative 0.0937 0.2293 0.1694
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0835 0.1518 0.0001
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1441 0.6092 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.1441 0.6092 0.6092
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0835 0.1518 0.0002
Onchocerca volvulus Cathepsin F homolog 0.1441 0.6092 1
Brugia malayi Cathepsin L-like precursor 0.1441 0.6092 0.5393
Brugia malayi Cathepsin L-like cysteine proteinase 0.0937 0.2293 0.0914
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0937 0.2293 0.0915
Trypanosoma cruzi cysteine peptidase, putative 0.1441 0.6092 0.5393
Trypanosoma cruzi cysteine peptidase, putative 0.0835 0.1518 0.0001
Leishmania major cathepsin L-like protease 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0937 0.2293 0.1696
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0835 0.1518 0.0001
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1441 0.6092 1
Trypanosoma cruzi cysteine protease, putative 0.0835 0.1518 0.0001
Loa Loa (eye worm) ctsf protein 0.1441 0.6092 0.5393
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1441 0.6092 1
Brugia malayi Papain family cysteine protease containing protein 0.1441 0.6092 0.5393
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Trypanosoma cruzi cruzipain precursor, putative 0.1441 0.6092 0.5393
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Brugia malayi cathepsin L-like precursor 0.0937 0.2293 0.0914
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1441 0.6092 0.6092
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Loa Loa (eye worm) fibroinase 0.1441 0.6092 0.5393
Trypanosoma cruzi cysteine proteinase, putative 0.0835 0.1518 0.0001
Plasmodium falciparum cysteine proteinase falcipain 3 0.1441 0.6092 1
Onchocerca volvulus 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Echinococcus granulosus cathepsin L 0.0835 0.1518 0.1518
Schistosoma mansoni cathepsin F (C01 family) 0.1441 0.6092 0.5393
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1958 1 1
Echinococcus granulosus cathepsin b 0.1958 1 1
Loa Loa (eye worm) hypothetical protein 0.0937 0.2293 0.0915
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0835 0.1518 0.0001
Echinococcus multilocularis cathepsin L cysteine protease 0.1441 0.6092 0.6092
Entamoeba histolytica cysteine proteinase, putative 0.1441 0.6092 1
Onchocerca volvulus Cathepsin L homolog 0.1441 0.6092 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Echinococcus granulosus cathepsin l1 0.0937 0.2293 0.2293
Echinococcus granulosus cysteine protease 0.0835 0.1518 0.1518
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1441 0.6092 1
Entamoeba histolytica cysteine proteinase, putative 0.1441 0.6092 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1958 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Echinococcus multilocularis cathepsin b 0.1958 1 1
Leishmania major cathepsin L-like protease 0.1441 0.6092 1
Loa Loa (eye worm) hypothetical protein 0.0937 0.2293 0.0915
Leishmania major cathepsin L-like protease 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1441 0.6092 1
Brugia malayi Cathepsin L-like precursor 0.1441 0.6092 0.5393
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0835 0.1518 0.0002
Giardia lamblia Cathepsin B precursor 0.0835 0.1517 0.5
Onchocerca volvulus 0.1441 0.6092 1
Brugia malayi Cathepsin L-like precursor 0.0937 0.2293 0.0914
Loa Loa (eye worm) papain family cysteine protease containing protein 0.1441 0.6092 0.5393
Giardia lamblia Cathepsin B precursor 0.0835 0.1517 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Plasmodium vivax vivapain-2 0.1441 0.6092 1
Trypanosoma cruzi cysteine peptidase, putative 0.1441 0.6092 0.5393
Onchocerca volvulus 0.1441 0.6092 1
Plasmodium vivax vivapain-2 0.1441 0.6092 1
Brugia malayi Cathepsin L-like precursor 0.1441 0.6092 0.5393
Leishmania major cathepsin L-like protease 0.1441 0.6092 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Trypanosoma cruzi cysteine proteinase, putative 0.0835 0.1518 0.0001
Plasmodium falciparum cysteine proteinase falcipain 2a 0.1441 0.6092 1
Onchocerca volvulus 0.1441 0.6092 1
Onchocerca volvulus 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0835 0.1518 0.0002
Leishmania major cathepsin L-like protease 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1441 0.6092 1
Giardia lamblia Cathepsin B precursor 0.0835 0.1517 0.5
Echinococcus granulosus cathepsin L cysteine protease 0.0835 0.1518 0.1518
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1441 0.6092 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1441 0.6092 1
Leishmania major cysteine peptidase A (CPA) 0.1441 0.6092 1

Activities

Activity type Activity value Assay description Source Reference
Ke (functional) = 11.7 nM Antagonist potency of the compound was tested at a concentration of 100 nM ChEMBL. 8182708
Ki (binding) = 21 nM The binding affinity of the compound was determined on kappa-opioid receptor using [3H]- U-69,593 as radioligand ChEMBL. 8182708
Ki (binding) = 21 nM The binding affinity of the compound was determined on kappa-opioid receptor using [3H]- U-69,593 as radioligand ChEMBL. 8182708
Ki (binding) = 66 nM The binding affinity of the compound was determined against mu-opioid receptor using [3H]- DAMGO as radioligand ChEMBL. 8182708
Ki (binding) = 66 nM The binding affinity of the compound was determined against mu-opioid receptor using [3H]- DAMGO as radioligand ChEMBL. 8182708
Ki (binding) > 1000 nM The binding affinity of the compound was determined on delta-opioid receptor using [3H]- DPDPE as radioligand ChEMBL. 8182708
Ki (binding) > 1000 nM The binding affinity of the compound was determined on delta-opioid receptor using [3H]- DPDPE as radioligand ChEMBL. 8182708
Ratio (binding) 0 Selectivity ratio value is the ratio between kappa and delta receptor; Not calculated because IC50 ratio was <1 ChEMBL. 8182708
Ratio (functional) = 0.67 Inhibitory concentration was tested on electrically stimulated mouse vas deferens using DADLE as delta opioid receptor agonist at 100 nM of the compound ChEMBL. 8182708
Ratio (functional) = 2 Inhibitory concentration was tested on electrically stimulated guinea pig ileal longitudinal muscle using Morphine as mu opioid receptor agonist at 100 nM of the compound ChEMBL. 8182708
Ratio (binding) = 3 Selectivity ratio of mu opioid receptor to that of kappa opioid receptor ChEMBL. 8182708
Ratio (binding) = 4.8 Selectivity ratio of kappa opioid receptor to that of mu opioid receptor ChEMBL. 8182708
Ratio (functional) = 9.6 Inhibitory concentration was tested on electrically stimulated guinea pig ileal longitudinal muscle using ethylketazocine as kappa opioid receptor agonist at 100 nM of the compound ChEMBL. 8182708
Ratio (binding) > 15 Selectivity ratio of delta opioid rececptor to that of kappa opioid receptor ChEMBL. 8182708

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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