Detailed information for compound 1743082

Basic information

Technical information
  • TDR Targets ID: 1743082
  • Name: (2R)-5-amino-2-[[(3S)-2-[(2S)-2-amino-3-(4-hy droxy-2,6-dimethylphenyl)propanoyl]3,4-dihydr o-1H-isoquinoline-3-carbonyl]amino]-5-oxopent anoic acid
  • MW: 496.555 | Formula: C26H32N4O6
  • H donors: 5 H acceptors: 6 LogP: -1.36 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(cc1C)O)N
  • InChi: 1S/C26H32N4O6/c1-14-9-18(31)10-15(2)19(14)12-20(27)25(34)30-13-17-6-4-3-5-16(17)11-22(30)24(33)29-21(26(35)36)7-8-23(28)32/h3-6,9-10,20-22,31H,7-8,11-13,27H2,1-2H3,(H2,28,32)(H,29,33)(H,35,36)/t20-,21+,22-/m0/s1
  • InChiKey: RFWXOWAZWJAPIW-BDTNDASRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-5-amino-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-oxo-pentanoic acid
  • (2R)-5-amino-2-[[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-5-oxopentanoic acid
  • (2R)-5-amino-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-keto-valeric acid
  • (2R)-5-amino-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-5-oxo-pentanoic 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 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
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 88 aa 23.9 %
Schistosoma japonicum FMRFamide receptor, putative Mu opioid receptor   98 aa 109 aa 28.4 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Echinococcus multilocularis serotonin receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Mu opioid receptor   98 aa 96 aa 32.3 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 23.9 %
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Echinococcus multilocularis biogenic amine (5HT) receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Echinococcus granulosus tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Mu opioid receptor   98 aa 97 aa 36.1 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 98 aa 31.6 %
Schistosoma mansoni adenoreceptor Mu opioid receptor   98 aa 88 aa 38.6 %
Brugia malayi G protein-coupled receptor Mu opioid receptor   98 aa 90 aa 31.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 33.3 %
Schistosoma japonicum ko:K04165 Oamb gene product from transcript, putative Mu opioid receptor   98 aa 79 aa 34.2 %
Echinococcus multilocularis allatostatin A receptor Mu opioid receptor   98 aa 99 aa 33.3 %
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 %
Schistosoma japonicum Rhodopsin, putative Mu opioid receptor   98 aa 122 aa 22.1 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Mu opioid receptor   98 aa 98 aa 34.7 %
Schistosoma mansoni hypothetical protein Mu opioid receptor   98 aa 100 aa 23.0 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 31.5 %
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 85 aa 37.6 %
Echinococcus granulosus neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 101 aa 20.8 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 79 aa 29.1 %
Schistosoma japonicum Muscarinic acetylcholine receptor M1, putative Mu opioid receptor   98 aa 95 aa 30.5 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 93 aa 30.1 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 81 aa 34.6 %
Schistosoma japonicum Probable G-protein coupled receptor No9, putative Mu opioid receptor   98 aa 95 aa 28.4 %
Echinococcus multilocularis neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Onchocerca volvulus Phospholipase d-related homolog Mu opioid receptor   98 aa 82 aa 25.6 %
Loa Loa (eye worm) neuropeptide F receptor Mu opioid receptor   98 aa 80 aa 33.8 %
Schistosoma mansoni amine GPCR Mu opioid receptor   98 aa 86 aa 32.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 35.0 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Mu opioid receptor   98 aa 100 aa 33.0 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 91 aa 38.5 %
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 80 aa 22.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Brugia malayi ORL1-like opioid receptor Mu opioid receptor   98 aa 85 aa 32.9 %
Onchocerca volvulus 26S proteasome non-ATPase regulatory subunit 1 homolog Mu opioid receptor   98 aa 80 aa 28.8 %
Echinococcus multilocularis rhodopsin orphan GPCR Mu opioid receptor   98 aa 80 aa 23.8 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Mu opioid receptor   98 aa 96 aa 32.3 %
Brugia malayi Serotonin/octopamine receptor family protein 7 Mu opioid receptor   98 aa 85 aa 32.9 %
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor Mu opioid receptor   98 aa 80 aa 37.5 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   98 aa 85 aa 32.9 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 40.4 %
Echinococcus granulosus thyrotropin releasing hormone receptor Mu opioid receptor   98 aa 100 aa 34.0 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 88 aa 37.5 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 85 aa 24.7 %
Schistosoma mansoni peptide (allatostatin)-like receptor Mu opioid receptor   98 aa 96 aa 36.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 31.6 %
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 87 aa 32.2 %
Echinococcus granulosus allatostatin A receptor Mu opioid receptor   98 aa 99 aa 33.3 %
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 96 aa 31.2 %
Loa Loa (eye worm) melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Echinococcus multilocularis tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 34.0 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Mu opioid receptor   98 aa 99 aa 36.4 %
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Schistosoma japonicum Neuropeptide Y receptor type 2, putative Mu opioid receptor   98 aa 79 aa 31.6 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Mu opioid receptor   98 aa 96 aa 31.2 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 36.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 24.0 %
Schistosoma mansoni thyrotropin-releasing hormone receptor Mu opioid receptor   98 aa 100 aa 27.0 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 25.9 %
Onchocerca volvulus Mu opioid receptor   98 aa 93 aa 36.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 81 aa 35.8 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 98 aa 37.8 %
Echinococcus multilocularis neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   98 aa 85 aa 34.1 %
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 %
Brugia malayi Melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 97 aa 38.1 %
Loa Loa (eye worm) TYRA-2 protein Mu opioid receptor   98 aa 87 aa 31.0 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Mu opioid receptor   98 aa 92 aa 32.6 %
Echinococcus granulosus neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Mu opioid receptor   98 aa 93 aa 33.3 %
Schistosoma mansoni growth hormone secretagogue receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 38.2 %
Brugia malayi larval opioid receptor Mu opioid receptor   98 aa 100 aa 24.0 %
Schistosoma mansoni rhodopsin-like orphan GPCR Mu opioid receptor   98 aa 85 aa 25.9 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 90 aa 28.9 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Mu opioid receptor   98 aa 79 aa 36.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 89 aa 31.5 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   98 aa 89 aa 30.3 %
Schistosoma mansoni opsin-like receptor Mu opioid receptor   98 aa 80 aa 25.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 100 aa 25.0 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 98 aa 35.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 86 aa 33.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 28.1 %
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 85 aa 32.9 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 93 aa 25.8 %
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Mu opioid receptor   98 aa 100 aa 28.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax histone deacetylase, putative 0.1995 0.3213 0.4188
Toxoplasma gondii histone deacetylase HDAC2 0.4658 0.7625 1
Schistosoma mansoni histone deacetylase hda2 0.3415 0.5565 0.5565
Schistosoma mansoni histone deacetylase 1 2 3 0.1995 0.3213 0.3213
Trypanosoma cruzi Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0057 0.0003 0.0004
Echinococcus granulosus poly adp ribose polymerase 2 0.0241 0.0307 0.0307
Trypanosoma brucei histone deacetylase 2 0.1995 0.3213 0.4214
Schistosoma mansoni tyrosine kinase 0.0059 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0068 0.0021 0.0021
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0241 0.0307 0.0307
Echinococcus granulosus histone deacetylase 6 0.3339 0.5439 0.5439
Leishmania major hypothetical protein, conserved 0.0076 0.0034 0.0045
Echinococcus granulosus BRCA1 associated protein 0.0076 0.0034 0.0034
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0064 0.0015 0.0015
Echinococcus granulosus histone deacetylase 8 0.1995 0.3213 0.3213
Loa Loa (eye worm) ubiquitin specific peptidase 39 0.0076 0.0034 0.0034
Leishmania major hypothetical protein, conserved 0.0076 0.0034 0.0045
Loa Loa (eye worm) histone deacetylase 3 0.4658 0.7625 0.7625
Loa Loa (eye worm) hypothetical protein 0.0057 0.0003 0.0003
Plasmodium vivax histone deacetylase 1, putative 0.4658 0.7625 1
Plasmodium vivax histone deacetylase, putative 0.3339 0.5439 0.7121
Echinococcus multilocularis histone deacetylase 3 0.4658 0.7625 0.7625
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0241 0.0307 0.0307
Plasmodium falciparum histone deacetylase 2 0.3339 0.5439 0.7134
Schistosoma mansoni tyrosine kinase 0.2443 0.3956 0.3956
Echinococcus multilocularis epidermal growth factor receptor 0.2474 0.4006 0.4006
Brugia malayi Furin-like cysteine rich region family protein 0.4499 0.736 0.736
Schistosoma mansoni tyrosine kinase 0.2474 0.4006 0.4006
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.2474 0.4006 0.4006
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1439 0.2292 0.2292
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0068 0.0021 0.0021
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0068 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0333 0.0461 0.0461
Echinococcus granulosus tyrosine protein kinase HCK 0.006 0.0008 0.0008
Schistosoma mansoni histone deacetylase 4 5 0.3339 0.5439 0.5439
Trypanosoma cruzi histone deacetylase, putative 0.1995 0.3213 0.4214
Loa Loa (eye worm) hypothetical protein 0.6093 1 1
Brugia malayi hypothetical protein 0.0235 0.0298 0.0298
Trichomonas vaginalis histone deacetylase, putative 0.4658 0.7625 1
Schistosoma mansoni hypothetical protein 0.0169 0.0188 0.0188
Brugia malayi WGR domain containing protein 0.0241 0.0307 0.0307
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0438 0.0634 0.0634
Loa Loa (eye worm) hypothetical protein 0.0235 0.0298 0.0298
Loa Loa (eye worm) hypothetical protein 0.142 0.226 0.226
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0076 0.0034 0.0034
Echinococcus multilocularis histone deacetylase 8 0.1995 0.3213 0.3213
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0076 0.0034 0.0045
Trypanosoma cruzi histone deacetylase, putative 0.3339 0.5439 0.7134
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0814 0.1257 0.1257
Brugia malayi BRCA1-associated protein 2 containing protein 0.0076 0.0034 0.0034
Echinococcus granulosus tyrosine protein kinase Src42A 0.0068 0.0021 0.0021
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0068 0.0021 0.0021
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0076 0.0034 0.0034
Toxoplasma gondii Zn-finger in ubiquitin-hydrolases domain-containing protein 0.0076 0.0034 0.0045
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0438 0.0634 0.0822
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0631 0.0953 0.0953
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 22 0.0076 0.0034 0.0034
Echinococcus granulosus histone deacetylase 3 0.4658 0.7625 0.7625
Echinococcus granulosus tyrosine protein kinase Lyn 0.0068 0.0021 0.0021
Loa Loa (eye worm) histone deacetylase 7A 0.3339 0.5439 0.5439
Echinococcus granulosus histone deacetylase 6 0.3339 0.5439 0.5439
Brugia malayi histone deacetylase 3 (HD3) 0.4658 0.7625 0.7625
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0101 0.0075 0.0075
Trypanosoma brucei DNA repair protein, putative 0.0057 0.0003 0.0004
Trypanosoma brucei Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0057 0.0003 0.0004
Echinococcus multilocularis insulin receptor 0.1439 0.2292 0.2292
Leishmania major histone deacetylase, putative 0.3339 0.5439 0.7134
Plasmodium falciparum histone deacetylase, putative 0.3339 0.5439 0.7134
Trypanosoma cruzi histone deacetylase 1, putative 0.4658 0.7625 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.006 0.0008 0.0008
Echinococcus granulosus poly (ADP ribose) polymerase 0.0068 0.0021 0.0021
Trichomonas vaginalis histone deacetylase, putative 0.4658 0.7625 1
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.6093 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0068 0.0021 0.0021
Echinococcus multilocularis histone deacetylase 0.3339 0.5439 0.5439
Loa Loa (eye worm) hypothetical protein 0.0077 0.0035 0.0035
Loa Loa (eye worm) histone deacetylase 1 0.4658 0.7625 0.7625
Leishmania major hypothetical protein, conserved 0.0057 0.0003 0.0004
Loa Loa (eye worm) TK/INSR protein kinase 0.1439 0.2292 0.2292
Schistosoma mansoni brca1-associated protein (brap2) 0.0076 0.0034 0.0034
Schistosoma mansoni ubiquitin-specific peptidase 5 (C19 family) 0.0076 0.0034 0.0034
Trypanosoma brucei histone deacetylase 1 0.4658 0.7625 1
Loa Loa (eye worm) histone deacetylase 11 0.1995 0.3213 0.3213
Echinococcus multilocularis histone deacetylase 1 0.4658 0.7625 0.7625
Echinococcus granulosus tyrosine protein kinase Blk 0.0064 0.0015 0.0015
Trypanosoma brucei poly(adp-ribose) polymerase 0.0241 0.0307 0.0403
Entamoeba histolytica hypothetical protein 0.0068 0.0021 0.0017
Echinococcus granulosus u4:u6.u5 tri snrnp associated protein 2 0.0076 0.0034 0.0034
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0068 0.0021 0.0021
Schistosoma mansoni nephrin 0.0061 0.0009 0.0009
Toxoplasma gondii histone deacetylase HDAC4 0.1995 0.3213 0.4214
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.0298 0.0298
Toxoplasma gondii ubiquitin specific protease 39 isoform 2, putative 0.0076 0.0034 0.0045
Loa Loa (eye worm) SRC-1 0.0068 0.0021 0.0021
Echinococcus granulosus tyrosine protein kinase Fyn 0.0068 0.0021 0.0021
Echinococcus granulosus insulin receptor 0.1439 0.2292 0.2292
Schistosoma mansoni tyrosine kinase 0.1439 0.2292 0.2292
Trichomonas vaginalis histone deacetylase, putative 0.4658 0.7625 1
Trypanosoma brucei histone deacetylase 4 0.3339 0.5439 0.7134
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0076 0.0034 0.0034
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase 13, putative 0.0076 0.0034 0.0045
Trypanosoma brucei Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0076 0.0034 0.0045
Loa Loa (eye worm) BRCA1-associated protein 2 containing protein 0.0076 0.0034 0.0034
Onchocerca volvulus Histone deacetylase 10 homolog 0.1995 0.3213 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0455 0.0662 0.0869
Brugia malayi histone deacetylase 11 0.1995 0.3213 0.3213
Trypanosoma cruzi Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0076 0.0034 0.0045
Loa Loa (eye worm) hypothetical protein 0.0241 0.0307 0.0307
Schistosoma mansoni cell adhesion molecule 0.0064 0.0015 0.0015
Echinococcus multilocularis histone deacetylase 7 0.3339 0.5439 0.5439
Leishmania major histone deacetylase, putative 0.3339 0.5439 0.7134
Schistosoma mansoni tyrosine kinase 0.1439 0.2292 0.2292
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4658 0.7625 1
Schistosoma mansoni histone deacetylase 0.4658 0.7625 0.7625
Echinococcus multilocularis BRCA1 associated protein 0.0076 0.0034 0.0034
Echinococcus granulosus histone deacetylase 7 0.3339 0.5439 0.5439
Echinococcus granulosus histone deacetylase 6 0.3415 0.5565 0.5565
Loa Loa (eye worm) hypothetical protein 0.1344 0.2135 0.2135
Echinococcus granulosus geminin 0.0169 0.0188 0.0188
Plasmodium falciparum histone deacetylase 1 0.4658 0.7625 1
Trichomonas vaginalis histone deacetylase, putative 0.4658 0.7625 1
Brugia malayi WGR domain containing protein 0.0438 0.0634 0.0634
Plasmodium falciparum U4/U6.U5 tri-snRNP-associated protein 2, putative 0.0076 0.0034 0.0045
Schistosoma mansoni tyrosine kinase 0.0068 0.0021 0.0021
Echinococcus granulosus histone deacetylase 0.3339 0.5439 0.5439
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0076 0.0034 0.0034
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0438 0.0634 0.0634
Echinococcus granulosus WGR domain containing protein 0.0136 0.0134 0.0134
Loa Loa (eye worm) TK protein kinase 0.006 0.0008 0.0008
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.0298 0.0298
Schistosoma mansoni tyrosine kinase 0.2474 0.4006 0.4006
Echinococcus granulosus poly (ADP ribose) polymerase 0.0068 0.0021 0.0021
Trypanosoma cruzi histone deacetylase 1, putative 0.4658 0.7625 1
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0241 0.0307 0.0403
Echinococcus granulosus poly (ADP ribose) polymerase 0.0068 0.0021 0.0021
Echinococcus multilocularis geminin 0.0169 0.0188 0.0188
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0173 0.0194 0.0194
Toxoplasma gondii histone deacetylase HDAC1 0.3339 0.5439 0.7134
Schistosoma mansoni ubiquitin-specific peptidase 44 (C19 family) 0.0076 0.0034 0.0034
Brugia malayi protein-tyrosine kinase 0.0064 0.0015 0.0015
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.6093 1 1
Echinococcus granulosus neuroglian 0.0061 0.0009 0.0009
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.6093 1 1
Echinococcus granulosus tyrosine kinase 0.0064 0.0015 0.0015
Trypanosoma brucei histone deacetylase, putative 0.3339 0.5439 0.7134
Giardia lamblia Histone deacetylase 0.4658 0.7625 1
Echinococcus multilocularis neuroglian 0.0061 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.4658 0.7625 0.7625
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0076 0.0034 0.0034
Echinococcus multilocularis histone deacetylase 6 0.3415 0.5565 0.5565
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0076 0.0034 0.0034
Echinococcus multilocularis tyrosine protein kinase Srms 0.0064 0.0015 0.0015
Trypanosoma cruzi histone deacetylase, putative 0.1995 0.3213 0.4214
Loa Loa (eye worm) TK/EGFR protein kinase 0.4499 0.736 0.736
Echinococcus granulosus poly (ADP ribose) polymerase 0.0136 0.0134 0.0134
Trichomonas vaginalis histone deacetylase, putative 0.4658 0.7625 1
Leishmania major histone deacetylase, putative 0.4658 0.7625 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0064 0.0015 0.0015
Brugia malayi Protein kinase domain containing protein 0.1439 0.2292 0.2292
Echinococcus multilocularis histone deacetylase 6 0.3339 0.5439 0.5439
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0208 0.0253 0.0253
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0068 0.0021 0.0021
Echinococcus multilocularis roundabout 2 0.0077 0.0035 0.0035
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0076 0.0034 0.0045
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0068 0.0021 0.0021
Brugia malayi Immunoglobulin I-set domain containing protein 0.0814 0.1257 0.1257
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4658 0.7625 1
Trypanosoma cruzi histone deacetylase, putative 0.3339 0.5439 0.7134
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4658 0.7625 1
Echinococcus granulosus tm gpcr rhodopsin 0.0631 0.0953 0.0953
Onchocerca volvulus 0.0719 0.11 0.3417
Echinococcus granulosus tyrosine protein kinase Fyn 0.0068 0.0021 0.0021
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0068 0.0021 0.0021
Trichomonas vaginalis histone deacetylase, putative 0.4658 0.7625 1
Echinococcus granulosus epidermal growth factor receptor 0.2474 0.4006 0.4006
Trypanosoma brucei histone deacetylase 3 0.3339 0.5439 0.7134
Entamoeba histolytica histone deacetylase, putative 0.4658 0.7625 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0035 0.0035
Echinococcus multilocularis epidermal growth factor receptor 0.4499 0.736 0.736
Brugia malayi Histone deacetylase family protein 0.3339 0.5439 0.5439
Echinococcus multilocularis u4:u6.u5 tri snrnp associated protein 2 0.0076 0.0034 0.0034
Brugia malayi Histone deacetylase family protein 0.3339 0.5439 0.5439
Schistosoma mansoni histone deacetylase 0.4658 0.7625 0.7625
Trypanosoma brucei Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0076 0.0034 0.0045
Echinococcus granulosus roundabout 2 0.0077 0.0035 0.0035
Schistosoma mansoni tyrosine kinase 0.0068 0.0021 0.0021
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0064 0.0015 0.0015
Echinococcus multilocularis tyrosine protein kinase Blk 0.0064 0.0015 0.0015
Echinococcus multilocularis histone deacetylase 6 0.3339 0.5439 0.5439
Echinococcus multilocularis 0.1472 0.2346 0.2346
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0076 0.0034 0.0034
Schistosoma mansoni tyrosine kinase 0.2443 0.3956 0.3956
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0076 0.0034 0.0045
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0076 0.0034 0.0045
Echinococcus granulosus histone deacetylase 1 0.4658 0.7625 0.7625
Toxoplasma gondii UBA/TS-N domain-containing protein 0.0076 0.0034 0.0045
Trypanosoma cruzi DNA repair protein, putative 0.0057 0.0003 0.0004
Echinococcus granulosus poly ADP ribose polymerase 1 0.0438 0.0634 0.0634
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0068 0.0021 0.0021
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase 5, putative 0.0076 0.0034 0.0034
Echinococcus granulosus twitchin 0.0061 0.0009 0.0009
Leishmania major DNA repair protein, putative 0.0057 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0064 0.0015 0.0015
Echinococcus granulosus epidermal growth factor receptor 0.4499 0.736 0.736
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0076 0.0034 0.0034
Schistosoma mansoni family C19 non-peptidase homologue (C19 family) 0.0076 0.0034 0.0034
Loa Loa (eye worm) TK protein kinase 0.0064 0.0015 0.0015
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0068 0.0021 0.0021
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase, putative 0.0076 0.0034 0.0045
Trypanosoma cruzi histone deacetylase, putative 0.3339 0.5439 0.7134
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0241 0.0307 0.0403
Brugia malayi SRC-1 0.0068 0.0021 0.0021
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0068 0.0021 0.0021
Schistosoma mansoni brca1-associated protein (brap2) 0.0076 0.0034 0.0034
Onchocerca volvulus Tyrosine kinase homolog 0.0762 0.1171 0.3639
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 5 0.0076 0.0034 0.0034
Leishmania major histone deacetylase, putative 0.4658 0.7625 1
Schistosoma mansoni tyrosine kinase 0.4499 0.736 0.736
Schistosoma mansoni hypothetical protein 0.0169 0.0188 0.0188
Loa Loa (eye worm) hypothetical protein 0.1995 0.3213 0.3213
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 22 0.0076 0.0034 0.0034
Schistosoma mansoni histone deacetylase hda2 0.1995 0.3213 0.3213
Plasmodium vivax histone deacetylase 2, putative 0.3339 0.5439 0.7121
Brugia malayi Histone deacetylase 1 0.4658 0.7625 0.7625
Toxoplasma gondii histone deacetylase HDAC3 0.4658 0.7625 1
Schistosoma mansoni histone deacetylase 4 5 0.3339 0.5439 0.5439
Toxoplasma gondii histone deacetylase HDAC5 0.1995 0.3213 0.4214
Echinococcus granulosus tyrosine protein kinase Fyn 0.0068 0.0021 0.0021
Loa Loa (eye worm) histone deacetylase 0.3339 0.5439 0.5439
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0076 0.0034 0.0045
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.1439 0.2292 0.2292
Onchocerca volvulus Uncharacterized RING finger protein homolog 0.0076 0.0034 0.0096
Brugia malayi histone deacetylase 1 (HD1) 0.4658 0.7625 0.7625
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0076 0.0034 0.0045
Schistosoma mansoni tyrosine kinase 0.2443 0.3956 0.3956

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 10 uM Inhibition of Opioid receptor mu 1 in guinea pig ileum assay ChEMBL. 15267245
Kd (functional) = 8.91 Antagonist activity against deltorphin in mouse vas deferens assay ChEMBL. 15267245

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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