Detailed information for compound 1506213

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 496.597 | Formula: C31H32N2O4
  • H donors: 3 H acceptors: 3 LogP: 4.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)[C@@]13CCN([C@H](C2)[C@@]23CC[C@@](C1)(O2)CNC(=O)c1ccccc1O)Cc1ccccc1
  • InChi: 1S/C31H32N2O4/c34-23-11-10-22-16-27-31-13-12-29(37-31,20-32-28(36)24-8-4-5-9-26(24)35)19-30(31,25(22)17-23)14-15-33(27)18-21-6-2-1-3-7-21/h1-11,17,27,34-35H,12-16,18-20H2,(H,32,36)/t27-,29+,30-,31-/m1/s1
  • InChiKey: QBOVHOIAMXJUSJ-GEIIOTBESA-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 Mu opioid receptor Starlite/ChEMBL References
Cavia porcellus Kappa opioid receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Mitochondrial inner membrane protein homolog Kappa opioid receptor   380 aa 334 aa 25.4 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Brugia malayi GnHR receptor homolog Kappa opioid receptor   380 aa 341 aa 20.2 %
Onchocerca volvulus Phosphoinositide 3-kinase adapter subunit homolog Kappa opioid receptor   380 aa 323 aa 22.6 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Kappa opioid receptor   380 aa 326 aa 25.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 31.6 %
Brugia malayi ORL1-like opioid receptor Kappa opioid receptor   380 aa 312 aa 25.3 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 79 aa 29.1 %
Onchocerca volvulus Phospholipase d-related homolog Kappa opioid receptor   380 aa 326 aa 20.9 %
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 96 aa 31.2 %
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 86 aa 33.7 %
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor Mu opioid receptor   98 aa 80 aa 37.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 33.3 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 88 aa 23.9 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Mu opioid receptor   98 aa 92 aa 32.6 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Mu opioid receptor   98 aa 96 aa 31.2 %
Schistosoma mansoni rhodopsin-like orphan GPCR Mu opioid receptor   98 aa 85 aa 25.9 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 97 aa 38.1 %
Schistosoma mansoni amine GPCR Mu opioid receptor   98 aa 86 aa 32.6 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 93 aa 30.1 %
Schistosoma mansoni adenoreceptor Mu opioid receptor   98 aa 88 aa 38.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 89 aa 31.5 %
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 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 27.4 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Echinococcus granulosus neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
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 %
Schistosoma mansoni peptide (allatostatin)-like receptor Mu opioid receptor   98 aa 96 aa 36.5 %
Brugia malayi larval opioid receptor Mu opioid receptor   98 aa 100 aa 24.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 25.9 %
Schistosoma japonicum FMRFamide receptor, putative Mu opioid receptor   98 aa 109 aa 28.4 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 320 aa 20.6 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 24.2 %
Schistosoma japonicum ko:K04255 opsin 4 (melanopsin), putative Kappa opioid receptor   380 aa 352 aa 20.2 %
Loa Loa (eye worm) melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Echinococcus multilocularis neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Echinococcus multilocularis neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Schistosoma mansoni neuropeptide F-like receptor 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 %
Onchocerca volvulus 26S proteasome non-ATPase regulatory subunit 1 homolog Mu opioid receptor   98 aa 80 aa 28.8 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 81 aa 34.6 %
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 80 aa 22.5 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 38.2 %
Echinococcus granulosus allatostatin A receptor Kappa opioid receptor   380 aa 317 aa 28.4 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Mu opioid receptor   98 aa 97 aa 36.1 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Mu opioid receptor   98 aa 93 aa 33.3 %
Schistosoma japonicum Muscarinic acetylcholine receptor M1, putative Mu opioid receptor   98 aa 95 aa 30.5 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Echinococcus multilocularis rhodopsin orphan GPCR Mu opioid receptor   98 aa 80 aa 23.8 %
Schistosoma japonicum Probable G-protein coupled receptor No9, putative Mu opioid receptor   98 aa 95 aa 28.4 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 98 aa 35.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 28.1 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Mu opioid receptor   98 aa 98 aa 34.7 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Mu opioid receptor   98 aa 99 aa 36.4 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 35.0 %
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 90 aa 28.9 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 21.5 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 88 aa 39.8 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 85 aa 37.6 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 91 aa 38.5 %
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 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 81 aa 35.8 %
Echinococcus multilocularis tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
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 98 aa 31.6 %
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Brugia malayi Serotonin/octopamine receptor family protein 7 Mu opioid receptor   98 aa 85 aa 32.9 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 36.1 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 319 aa 21.6 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Onchocerca volvulus Programmed cell death protein 5 homolog Kappa opioid receptor   380 aa 316 aa 22.2 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 100 aa 29.0 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 23.9 %
Onchocerca volvulus Mitogen-activated protein kinase kinase kinase 8 homolog Kappa opioid receptor   380 aa 395 aa 20.3 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Mu opioid receptor   98 aa 79 aa 36.7 %
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Mu opioid receptor   98 aa 100 aa 28.0 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 98 aa 37.8 %
Loa Loa (eye worm) neuropeptide F receptor Mu opioid receptor   98 aa 80 aa 33.8 %
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 81 aa 24.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 93 aa 36.6 %
Echinococcus multilocularis allatostatin A receptor Kappa opioid receptor   380 aa 313 aa 27.2 %
Echinococcus granulosus tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Echinococcus multilocularis neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 40.4 %
Onchocerca volvulus Mu opioid receptor   98 aa 87 aa 32.2 %
Schistosoma mansoni hypothetical protein Mu opioid receptor   98 aa 100 aa 23.0 %
Schistosoma mansoni growth hormone secretagogue receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Kappa opioid receptor   380 aa 403 aa 23.3 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 88 aa 37.5 %
Echinococcus multilocularis serotonin receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma mansoni opsin-like receptor Mu opioid receptor   98 aa 80 aa 25.0 %
Echinococcus granulosus neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Kappa opioid receptor   380 aa 389 aa 25.7 %
Schistosoma japonicum Rhodopsin, putative Kappa opioid receptor   380 aa 329 aa 23.1 %
Schistosoma japonicum Neuropeptide Y receptor type 2, putative Mu opioid receptor   98 aa 79 aa 31.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 101 aa 20.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Onchocerca volvulus Kappa opioid receptor   380 aa 374 aa 27.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 85 aa 24.7 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Mu opioid receptor   98 aa 96 aa 32.3 %
Echinococcus multilocularis growth hormone secretagogue receptor type 1 Kappa opioid receptor   380 aa 306 aa 21.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 100 aa 25.0 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 34.0 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Mu opioid receptor   98 aa 80 aa 31.2 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 25.8 %
Schistosoma japonicum ko:K04165 Oamb gene product from transcript, putative Mu opioid receptor   98 aa 79 aa 34.2 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 31.5 %
Brugia malayi G protein-coupled receptor Mu opioid receptor   98 aa 90 aa 31.1 %
Schistosoma mansoni rhodopsin-like orphan GPCR Kappa opioid receptor   380 aa 379 aa 22.4 %
Schistosoma mansoni thyrotropin-releasing hormone receptor Mu opioid receptor   98 aa 100 aa 27.0 %
Brugia malayi Melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Echinococcus granulosus thyrotropin releasing hormone receptor Kappa opioid receptor   380 aa 392 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis thyroid hormone receptor alpha 0.0028 0.0007 0.0071
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0008 0.0551
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0014 0.1602
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0013 0.0282
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0516 0.0442 0.0778
Brugia malayi beta-lactamase family protein 0.0036 0.0014 0.121
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0029 0.0007 0.0001
Trypanosoma cruzi heat shock protein 90, putative 0.0053 0.0029 0.0949
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0035 0.0483
Schistosoma mansoni RAR-like nuclear receptor 0.0028 0.0007 0.1293
Plasmodium vivax proteasome subunit beta type-2, putative 0.0029 0.0007 0.0255
Trypanosoma cruzi heat shock protein 90, putative 0.004 0.0017 0.0443
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0014 0.03
Brugia malayi beta-lactamase 0.0036 0.0014 0.121
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1471 0.1294 1
Echinococcus granulosus ecdysone induced protein 78C 0.0028 0.0007 0.0122
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0789 0.0686 1
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0019 0.0542
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0028 0.0007 0.0466
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0029 0.0007 0.0136
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0028 0.0007 0.1293
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0014 0.2703
Echinococcus multilocularis endoplasmin 0.0053 0.0029 0.0404
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0007 0.1293
Brugia malayi photoreceptor-specific nuclear receptor 0.0028 0.0007 0.0336
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Loa Loa (eye worm) hypothetical protein 0.0036 0.0014 0.1602
Loa Loa (eye worm) hypothetical protein 0.0028 0.0007 0.0766
Echinococcus multilocularis neuropeptide s receptor 0.0467 0.0398 0.5793
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0019 0.0542
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0085 1
Entamoeba histolytica heat shock protein 90, putative 0.0067 0.0042 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0007 0.0336
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0015 0.1806
Mycobacterium ulcerans epoxide hydrolase EphA 0.0516 0.0442 0.0429
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0036 0.426
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.1771
Brugia malayi heat shock protein 90 0.0067 0.0042 0.4629
Echinococcus multilocularis FTZ F1 alpha 0.0028 0.0007 0.0071
Trypanosoma brucei heat shock protein, putative 0.0067 0.0042 0.1448
Mycobacterium tuberculosis Conserved hypothetical protein 0.0159 0.0123 0.0199
Loa Loa (eye worm) beta-lactamase 0.0036 0.0014 0.1602
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0028 0.0007 0.0122
Trypanosoma cruzi heat shock protein 85, putative 0.0067 0.0042 0.1448
Loa Loa (eye worm) heat shock protein 90 0.0067 0.0042 0.4869
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0014 0.121
Giardia lamblia Grp94/Hsp90 0.0053 0.0029 0.6459
Echinococcus multilocularis GPCR, family 2 0.0031 0.0009 0.0106
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.0068 0.0975
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0027 0.0006 0.0113
Trichomonas vaginalis heat shock protein, putative 0.0053 0.0029 0.0023
Entamoeba histolytica heat shock protein 90, putative 0.0067 0.0042 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0014 0.0007
Leishmania major hypothetical protein, conserved 0.0036 0.0014 0.0306
Echinococcus multilocularis neuropeptide receptor A26 0.0467 0.0398 0.5793
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0028 0.0007 0.1293
Giardia lamblia Heat shock protein HSP 90-alpha 0.0053 0.0029 0.6459
Trichomonas vaginalis heat shock protein, putative 0.0041 0.0018 0.0012
Trypanosoma brucei heat shock protein, putative 0.0067 0.0042 0.1448
Treponema pallidum penicillin-binding protein (pbp-3) 0.1471 0.1294 0.1268
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.0007 0.0766
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0019 0.0246
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0053 0.0029 0.0028
Echinococcus granulosus endoplasmin 0.0053 0.0029 0.0698
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.1471 0.1294 0.2324
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0002 0.0336
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0015 0.3047
Loa Loa (eye worm) heat shock protein 75 0.0027 0.0006 0.0726
Onchocerca volvulus 0.0036 0.0014 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0028 0.0007 0.0071
Entamoeba histolytica hypothetical protein 0.0035 0.0013 0.1896
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0014 0.0007
Trypanosoma brucei heat shock protein, putative 0.0067 0.0042 0.1448
Onchocerca volvulus Protein ultraspiracle homolog 0.0028 0.0007 0.0466
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0028 0.0007 0.0071
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0008 0.0163
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Echinococcus granulosus heat shock protein 0.0067 0.0042 0.1005
Loa Loa (eye worm) hypothetical protein 0.007 0.0045 0.5221
Loa Loa (eye worm) proteasome subunit beta type 2 0.0029 0.0007 0.0831
Schistosoma mansoni hypothetical protein 0.003 0.0008 0.1609
Loa Loa (eye worm) hypothetical protein 0.0041 0.0018 0.2095
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0028 0.0007 0.0336
Chlamydia trachomatis transglycolase/transpeptidase 0.1471 0.1294 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.0186 0.0313
Onchocerca volvulus 0.0036 0.0014 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0014 0.0306
Loa Loa (eye worm) hypothetical protein 0.0028 0.0007 0.0766
Trichomonas vaginalis heat shock protein, putative 0.0053 0.0029 0.0023
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Toxoplasma gondii hypothetical protein 0.0049 0.0025 0.5313
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1471 0.1294 0.1282
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Loa Loa (eye worm) hypothetical protein 0.003 0.0008 0.0954
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0009 0.0183
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0009 0.0106
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0035 0.0834
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.0109 0.4203
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0028 0.0007 0.1293
Brugia malayi jmjC domain containing protein 0.0038 0.0015 0.1424
Brugia malayi steroid hormone receptor 0.0028 0.0007 0.0336
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.1771
Trypanosoma brucei heat shock protein, putative 0.0067 0.0042 0.1448
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0028 0.0007 0.0336
Trypanosoma cruzi Heat shock protein 83, putative 0.0067 0.0042 0.1448
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0007 0.1293
Loa Loa (eye worm) hypothetical protein 0.0036 0.0014 0.1602
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.1771
Loa Loa (eye worm) hypothetical protein 0.0036 0.0014 0.1602
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.0068 0.7964
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0007 0.0071
Schistosoma mansoni retinoic acid receptor RXR 0.0028 0.0007 0.1293
Brugia malayi nuclear receptor NHR-88 0.0028 0.0007 0.0336
Plasmodium falciparum endoplasmin, putative 0.0041 0.0018 0.345
Loa Loa (eye worm) hypothetical protein 0.0036 0.0014 0.1602
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0008 0.0094
Toxoplasma gondii heat shock protein 90, putative 0.0067 0.0042 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0009 0.0106
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0014 0.2116
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.0068 0.1683
Schistosoma mansoni bromodomain containing protein 0.0063 0.0038 0.7499
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.0007 0.0766
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0019 0.0424
Plasmodium vivax endoplasmin, putative 0.0067 0.0042 1
Chlamydia trachomatis transglycolase/transpeptidase 0.1471 0.1294 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0009 0.0632
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0014 0.0007
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0019 0.0542
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0029 0.0007 0.0001
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0028 0.0007 0.1293
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.6209 0.5523 0.5516
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0028 0.0007 0.0336
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.025 1
Schistosoma mansoni coup transcription factor 0.0028 0.0007 0.1293
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0008 0.0551
Schistosoma mansoni heat shock protein 0.0027 0.0006 0.1224
Brugia malayi Steroid receptor seven-up type 2 0.0028 0.0007 0.0336
Trypanosoma brucei heat shock protein, putative 0.0067 0.0042 0.1448
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0028 0.0007 0.1293
Plasmodium vivax hypothetical protein, conserved 0.003 0.0008 0.0551
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0028 0.0007 0.0336
Loa Loa (eye worm) hypothetical protein 0.0028 0.0007 0.0766
Echinococcus multilocularis ecdysone induced protein 78C 0.0028 0.0007 0.0071
Treponema pallidum penicillin-binding protein (pbp-1) 0.1471 0.1294 0.1268
Leishmania major proteasome beta 2 subunit, putative 0.0029 0.0007 0.0037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.0007 0.0766
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.0068 0.7869
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.0068 0.7869
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0014 0.0175
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0014 0.0174
Echinococcus multilocularis heat shock protein 90 0.0053 0.0029 0.0404
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0029 0.0007 0.0255
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.1471 0.1294 0.1282
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0014 0.2703
Plasmodium falciparum phd finger protein, putative 0.003 0.0008 0.0551
Schistosoma mansoni hypothetical protein 0.0031 0.0009 0.1771
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0028 0.0007 0.0336
Trypanosoma cruzi heat shock protein 85, putative 0.0067 0.0042 0.1448
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0007 0.0336
Loa Loa (eye worm) hypothetical protein 0.0028 0.0007 0.0766
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.5017 0.4459 0.8069
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0007 0.0071
Brugia malayi proteasome subunit beta type 2 0.0029 0.0007 0.0403
Loa Loa (eye worm) hypothetical protein 0.0038 0.0016 0.1849
Loa Loa (eye worm) hypothetical protein 0.0028 0.0007 0.0766
Brugia malayi Hsp90 protein 0.0027 0.0006 0.0293
Entamoeba histolytica hypothetical protein 0.0035 0.0013 0.1896
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0051 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0019 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0028 0.0007 0.0336
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.1471 0.1294 0.1282
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0027 0.0006 0.0066
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Mycobacterium ulcerans penicillin-binding lipoprotein 0.1471 0.1294 0.1282
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.6209 0.5523 0.5516
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0007 0.0122
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0028 0.0007 0.0071
Echinococcus granulosus neuropeptide receptor A26 0.0467 0.0398 1
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.1471 0.1294 0.2324
Loa Loa (eye worm) hypothetical protein 0.0097 0.0068 0.7964
Mycobacterium ulcerans hypothetical protein 0.0159 0.0123 0.011
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0029 0.0007 0.0037
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0008 0.0954
Brugia malayi ecdysteroid receptor 0.0028 0.0007 0.0336
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0301 0.025 1
Entamoeba histolytica hypothetical protein 0.0035 0.0013 0.1896
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.0007 0.0766
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0014 0.0007
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0008 0.1609
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0029 0.0007 0.0079
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0028 0.0007 0.0122
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0013 0.0164
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0014 0.0306
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Echinococcus multilocularis heat shock protein 0.0067 0.0042 0.0582
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0028 0.0007 0.0071
Trypanosoma brucei heat shock protein, putative 0.0067 0.0042 0.1448
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0028 0.088
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0014 0.0302
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0109 0.4203
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0085 1
Mycobacterium ulcerans heat shock protein 90 0.0053 0.0029 0.0016
Loa Loa (eye worm) hypothetical protein 0.0028 0.0007 0.0766
Loa Loa (eye worm) endoplasmin 0.0067 0.0042 0.4869
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0009 0.0632
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0013 0.2549
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0009 0.0183
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0007 0.0336
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0109 0.4203
Schistosoma mansoni heat shock protein 0.0067 0.0042 0.8213
Giardia lamblia PHD finger protein 15 0.003 0.0008 0.0304
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.0007 0.0766
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.0007 0.0766
Echinococcus granulosus FTZ F1 alpha 0.0028 0.0007 0.0122
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0029 0.0007 0.0037
Trypanosoma brucei heat shock protein 90, putative 0.0067 0.0042 0.1448
Brugia malayi Bromodomain containing protein 0.0075 0.0048 0.5464
Brugia malayi nuclear hormone receptor 0.0028 0.0007 0.0336
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0028 0.0007 0.0122
Echinococcus multilocularis heat shock protein 90 0.0067 0.0042 0.0582
Onchocerca volvulus 0.0036 0.0014 1
Schistosoma mansoni hypothetical protein 0.0035 0.0013 0.2549
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0015 0.0346
Brugia malayi MH2 domain containing protein 0.0116 0.0085 1
Echinococcus granulosus GPCR family 2 0.0031 0.0009 0.0183
Echinococcus multilocularis peregrin 0.0032 0.001 0.0125
Trypanosoma brucei heat shock protein 90, putative 0.0067 0.0042 0.1448
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0007 0.0336
Mycobacterium ulcerans penicillin-binding protein PbpA 0.1471 0.1294 0.1282
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0014 0.0306
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0029 0.0007 0.0255
Toxoplasma gondii heat shock protein HSP90 0.0067 0.0042 1
Trypanosoma cruzi heat shock protein 85, putative 0.0053 0.0029 0.0949
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0007 0.0336
Trichomonas vaginalis heat shock protein, putative 0.0067 0.0042 0.0035
Echinococcus granulosus peregrin 0.0032 0.001 0.0216
Trypanosoma cruzi heat shock protein 90, putative 0.0067 0.0042 0.1448
Onchocerca volvulus Bile acid receptor homolog 0.0028 0.0007 0.0466
Loa Loa (eye worm) hypothetical protein 0.0036 0.0014 0.1602
Schistosoma mansoni endoplasmin 0.0067 0.0042 0.8213
Giardia lamblia Heat shock protein HSP 90-alpha 0.0067 0.0042 1
Trypanosoma cruzi heat shock protein 85, putative 0.0067 0.0042 0.1448
Brugia malayi Endoplasmin precursor 0.0067 0.0042 0.4629
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0007 0.1293
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.6209 0.5523 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0028 0.0007 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.0007 0.0766
Brugia malayi beta-lactamase family protein 0.0036 0.0014 0.121
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0029 0.0007 0.1402
Brugia malayi Bromodomain containing protein 0.0032 0.001 0.079
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0007 0.0122
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0007 0.1293
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0041 0.4519
Schistosoma mansoni hypothetical protein 0.0066 0.0041 0.8036
Loa Loa (eye worm) hypothetical protein 0.0051 0.0027 0.3172
Trypanosoma cruzi 20S proteasome subunit 0.0029 0.0007 0.0037
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Toxoplasma gondii ABC1 family protein 0.0036 0.0014 0.2116
Plasmodium vivax heat shock protein 86, putative 0.0067 0.0042 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.025 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0009 0.105
Echinococcus granulosus heat shock protein 90 0.0053 0.0029 0.0698
Brugia malayi jmjC domain containing protein 0.0097 0.0068 0.7925
Trypanosoma brucei heat shock protein, putative 0.0067 0.0042 0.1448
Echinococcus granulosus neuropeptide s receptor 0.0467 0.0398 1
Onchocerca volvulus Alhambra homolog 0.003 0.0008 0.2607
Trichomonas vaginalis endoplasmin, putative 0.0041 0.0018 0.0012
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0028 0.0007 0.0122
Loa Loa (eye worm) hypothetical protein 0.0028 0.0007 0.0766
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0053 0.0029 0.0949
Brugia malayi Bromodomain containing protein 0.0038 0.0016 0.1461
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Trypanosoma brucei Heat shock protein 83, putative 0.0067 0.0042 0.1448
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0007 0.0336
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0029 0.0007 0.1402
Plasmodium falciparum heat shock protein 90 0.0067 0.0042 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0014 0.0176
Brugia malayi hypothetical protein 0.0035 0.0013 0.1115
Loa Loa (eye worm) hypothetical protein 0.0043 0.002 0.2294
Onchocerca volvulus 0.0028 0.0007 0.0466
Loa Loa (eye worm) hypothetical protein 0.0036 0.0014 0.1602
Trypanosoma brucei heat shock protein, putative 0.0067 0.0042 0.1448
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0053 0.0029 0.0016
Trichomonas vaginalis heat shock protein, putative 0.0053 0.0029 0.0023
Entamoeba histolytica hypothetical protein 0.0035 0.0013 0.1896
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0014 0.0007
Schistosoma mansoni endoplasmin 0.0067 0.0042 0.8213
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0053 0.0029 0.0698
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0028 0.0007 0.0336
Trichomonas vaginalis esterase, putative 0.0036 0.0014 0.0007
Loa Loa (eye worm) hypothetical protein 0.0028 0.0007 0.0766
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0015 0.3047
Schistosoma mansoni steroid hormone receptor ad4bp 0.0028 0.0007 0.1293
Leishmania major mitochondrial DNA polymerase beta 0.0301 0.025 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0009 0.105
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0029 0.0007 0.0255
Echinococcus granulosus heat shock protein 90 0.0067 0.0042 0.1005
Schistosoma mansoni heat shock protein 0.0067 0.0042 0.8213
Brugia malayi PHD-finger family protein 0.003 0.0008 0.0532
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.0007 0.0766
Loa Loa (eye worm) hypothetical protein 0.0066 0.0041 0.4763
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0007 0.0336
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448
Leishmania major heat shock protein 83-1 0.0067 0.0042 0.1448

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 12.48 mg kg-1 Antinociceptive activity in sc dosed mouse assessed as effect on acetic acid-induced writhing ChEMBL. 21256034
Ki (binding) = 1.82 nM Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum ChEMBL. 21256034
Ki (binding) = 17.4 nM Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain ChEMBL. 21256034

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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