Detailed information for compound 408275

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1046.19 | Formula: C58H59N7O10S
  • H donors: 8 H acceptors: 9 LogP: 4.4 Rotable bonds: 24
    Rule of 5 violations (Lipinski): 3
  • SMILES: Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCCC/N=C(/N=C\1/C=CC(=C2c3ccc(cc3Oc3c2ccc(c3)O)O)C(=C1)C(=O)O)\S)Cc1ccccc1)Cc1ccccc1)N
  • InChi: 1S/C58H59N7O10S/c59-46(29-37-16-19-39(66)20-17-37)56(72)65-28-10-15-49(65)55(71)64-48(31-36-13-6-2-7-14-36)54(70)63-47(30-35-11-4-1-5-12-35)53(69)60-26-8-3-9-27-61-58(76)62-38-18-23-42(45(32-38)57(73)74)52-43-24-21-40(67)33-50(43)75-51-34-41(68)22-25-44(51)52/h1-2,4-7,11-14,16-25,32-34,46-49,66-68H,3,8-10,15,26-31,59H2,(H,60,69)(H,61,76)(H,63,70)(H,64,71)(H,73,74)/b62-38-/t46-,47-,48-,49-/m0/s1
  • InChiKey: WMUDXJRYJFJINT-NVXMSLNZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Delta opioid receptor Starlite/ChEMBL References
Cavia porcellus Mu opioid receptor Starlite/ChEMBL References
Mus musculus opioid receptor, delta 1 Starlite/ChEMBL References
Rattus norvegicus Mu opioid receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_139759 All targets in OG5_139759
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_139759 All targets in OG5_139759
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Programmed cell death protein 5 homolog Mu opioid receptor   398 aa 323 aa 24.1 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   98 aa 85 aa 32.9 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 96 aa 31.2 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Mu opioid receptor   98 aa 80 aa 31.2 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 31.5 %
Loa Loa (eye worm) TYRA-2 protein Mu opioid receptor   98 aa 87 aa 31.0 %
Echinococcus multilocularis allatostatin A receptor Delta opioid receptor   372 aa 302 aa 28.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 24.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 87 aa 32.2 %
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Brugia malayi larval opioid receptor Mu opioid receptor   98 aa 100 aa 24.0 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 100 aa 25.0 %
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Mu opioid receptor   98 aa 97 aa 37.1 %
Schistosoma mansoni amine GPCR Mu opioid receptor   98 aa 86 aa 32.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 22.5 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 88 aa 39.8 %
Schistosoma japonicum Neuropeptide Y receptor type 2, putative Mu opioid receptor   98 aa 79 aa 31.6 %
Schistosoma japonicum Probable G-protein coupled receptor No9, putative Mu opioid receptor   98 aa 95 aa 28.4 %
Onchocerca volvulus Delta opioid receptor   372 aa 349 aa 22.1 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 28.1 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 34.0 %
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 85 aa 24.7 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 97 aa 38.1 %
Echinococcus granulosus allatostatin A receptor Delta opioid receptor   372 aa 302 aa 27.8 %
Loa Loa (eye worm) melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Onchocerca volvulus Delta opioid receptor   372 aa 353 aa 21.0 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Delta opioid receptor   372 aa 330 aa 24.2 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Delta opioid receptor   372 aa 315 aa 28.6 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 85 aa 37.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 93 aa 36.6 %
Echinococcus granulosus neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Brugia malayi G protein-coupled receptor Mu opioid receptor   98 aa 90 aa 31.1 %
Schistosoma japonicum ko:K04165 Oamb gene product from transcript, putative Mu opioid receptor   98 aa 79 aa 34.2 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Mu opioid receptor   98 aa 98 aa 34.7 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 40.4 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 93 aa 30.1 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   398 aa 335 aa 20.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 101 aa 20.8 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 81 aa 34.6 %
Onchocerca volvulus Delta opioid receptor   372 aa 386 aa 22.8 %
Onchocerca volvulus Delta opioid receptor   372 aa 316 aa 26.9 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Mu opioid receptor   98 aa 93 aa 33.3 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Delta opioid receptor   372 aa 320 aa 25.6 %
Brugia malayi GnHR receptor homolog Delta opioid receptor   372 aa 313 aa 18.5 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 98 aa 37.8 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   398 aa 397 aa 22.7 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Mu opioid receptor   98 aa 96 aa 31.2 %
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Echinococcus granulosus tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   398 aa 334 aa 23.1 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 88 aa 23.9 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Schistosoma mansoni hypothetical protein Mu opioid receptor   98 aa 100 aa 23.0 %
Echinococcus multilocularis serotonin receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma mansoni growth hormone secretagogue receptor Mu opioid receptor   98 aa 93 aa 24.7 %
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 97 aa 35.1 %
Schistosoma mansoni thyrotropin-releasing hormone receptor Mu opioid receptor   98 aa 100 aa 27.0 %
Echinococcus multilocularis rhodopsin orphan GPCR Mu opioid receptor   98 aa 80 aa 23.8 %
Onchocerca volvulus 26S proteasome non-ATPase regulatory subunit 1 homolog Mu opioid receptor   98 aa 80 aa 28.8 %
Echinococcus granulosus neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 79 aa 29.1 %
Echinococcus multilocularis neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 90 aa 28.9 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 100 aa 29.0 %
Brugia malayi Melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 25.9 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 86 aa 33.7 %
Loa Loa (eye worm) neuropeptide F receptor Delta opioid receptor   372 aa 317 aa 23.3 %
Echinococcus multilocularis neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Schistosoma japonicum FMRFamide receptor, putative Mu opioid receptor   98 aa 109 aa 28.4 %
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Echinococcus granulosus neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Schistosoma mansoni adenoreceptor Mu opioid receptor   98 aa 88 aa 38.6 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 88 aa 37.5 %
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Mu opioid receptor   98 aa 97 aa 36.1 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 98 aa 35.7 %
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Mu opioid receptor   98 aa 100 aa 28.0 %
Onchocerca volvulus Delta opioid receptor   372 aa 344 aa 22.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 35.0 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Mu opioid receptor   98 aa 92 aa 32.6 %
Echinococcus multilocularis tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 98 aa 31.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 21.5 %
Echinococcus multilocularis neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Brugia malayi Serotonin/octopamine receptor family protein 7 Mu opioid receptor   98 aa 85 aa 32.9 %
Schistosoma mansoni peptide (allatostatin)-like receptor Delta opioid receptor   372 aa 353 aa 29.2 %
Brugia malayi ORL1-like opioid receptor Delta opioid receptor   372 aa 300 aa 24.7 %
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 81 aa 35.8 %
Echinococcus granulosus alpha 1A adrenergic receptor Mu opioid receptor   98 aa 92 aa 21.7 %
Echinococcus multilocularis biogenic amine (5HT) receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 31.6 %
Echinococcus granulosus thyrotropin releasing hormone receptor Delta opioid receptor   372 aa 330 aa 24.5 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 91 aa 38.5 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Schistosoma japonicum Rhodopsin, putative Mu opioid receptor   398 aa 328 aa 23.2 %
Onchocerca volvulus Phospholipase d-related homolog Mu opioid receptor   98 aa 82 aa 25.6 %
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor Mu opioid receptor   98 aa 80 aa 37.5 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Mu opioid receptor   98 aa 99 aa 36.4 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 33.3 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 38.2 %
Schistosoma mansoni rhodopsin-like orphan GPCR Mu opioid receptor   98 aa 85 aa 25.9 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Schistosoma mansoni opsin-like receptor Mu opioid receptor   98 aa 80 aa 25.0 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Delta opioid receptor   372 aa 366 aa 22.7 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 23.9 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Mu opioid receptor   98 aa 79 aa 36.7 %
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 81 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.003 0.0162
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1904 0.3914 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0011 0.0392
Onchocerca volvulus 0.0013 0.0001 0.000000055456
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.003 1
Brugia malayi Pre-SET motif family protein 0.0235 0.0461 0.0461
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0074 0.0127 0.0121
Trichomonas vaginalis chromobox protein, putative 0.0048 0.0073 0.1358
Brugia malayi Thioredoxin reductase 0.0045 0.0067 0.0067
Loa Loa (eye worm) PHD-finger family protein 0.0027 0.0031 0.003
Toxoplasma gondii exonuclease III APE 0.0018 0.0011 0.0794
Loa Loa (eye worm) hypothetical protein 0.002 0.0016 0.0015
Echinococcus multilocularis tumor protein p63 0.0382 0.0765 0.2957
Loa Loa (eye worm) hypothetical protein 0.002 0.0016 0.0015
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0006 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0066 0.1226
Loa Loa (eye worm) CHromoDomain protein family member 0.0015 0.0006 0.0004
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0102 0.0185 0.8705
Loa Loa (eye worm) hypothetical protein 0.002 0.0016 0.0015
Schistosoma mansoni zinc finger protein 0.0022 0.002 0.0715
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0039 0.0721
Trichomonas vaginalis chromobox protein, putative 0.0079 0.0137 0.2584
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0048 0.0073 0.1358
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0084 0.0322
Echinococcus multilocularis chromobox protein 1 0.0079 0.0137 0.0528
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0044 0.1614
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0023 0.0022
Echinococcus multilocularis lysine specific demethylase 5A 0.0033 0.0043 0.0163
Mycobacterium ulcerans hypothetical protein 0.0027 0.003 0.1951
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0027 0.0101
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0015 0.0006 0.0419
Schistosoma mansoni hypothetical protein 0.0017 0.001 0.0341
Echinococcus multilocularis peregrin 0.003 0.0037 0.0138
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.003 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0074 0.0127 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0027 0.0031 0.1128
Brugia malayi CHD4 protein 0.0015 0.0006 0.0006
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0011 0.0012
Schistosoma mansoni ap endonuclease 0.0018 0.0011 0.0374
Mycobacterium tuberculosis Probable reductase 0.0102 0.0185 0.8837
Onchocerca volvulus 0.0047 0.0071 0.1324
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0048 0.1743
Trypanosoma brucei ISWI complex protein 0.0017 0.001 0.001
Brugia malayi Probable ClpP-like protease 0.0074 0.0127 0.0127
Schistosoma mansoni hypothetical protein 0.0023 0.0023 0.0808
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0084 0.3107
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0015 0.0006 0.0017
Plasmodium falciparum phd finger protein, putative 0.0027 0.0031 0.2398
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0011 0.0392
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.0114 0.0437
Brugia malayi Valyl-tRNA synthetase 0.0013 0.0001 0.0001
Onchocerca volvulus Alhambra homolog 0.0027 0.0031 0.0572
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0014 0.0494
Schistosoma mansoni bromodomain containing protein 0.0072 0.0122 0.454
Echinococcus granulosus zinc finger protein 0.0022 0.002 0.0074
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0102 0.0185 0.8837
Brugia malayi PHD-finger family protein 0.0027 0.0031 0.0031
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.009 0.333
Trichomonas vaginalis glutathione reductase, putative 0.0015 0.0006 0.01
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0113 0.0208 1
Brugia malayi PHD-finger family protein 0.0028 0.0033 0.0033
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0044 0.0167
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0014 0.0358
Trichomonas vaginalis chromobox protein, putative 0.0079 0.0137 0.2584
Loa Loa (eye worm) hypothetical protein 0.0046 0.007 0.0069
Echinococcus granulosus jumonji domain containing protein 0.0038 0.0053 0.0203
Mycobacterium tuberculosis Probable oxidoreductase 0.0113 0.0208 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0011 0.0039
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0011 0.0794
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0025 0.0027 0.2055
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0011 0.0039
Toxoplasma gondii thioredoxin reductase 0.0045 0.0067 0.5208
Echinococcus granulosus peregrin 0.003 0.0037 0.0138
Loa Loa (eye worm) hypothetical protein 0.0027 0.0031 0.003
Loa Loa (eye worm) thioredoxin reductase 0.0045 0.0067 0.0066
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.009 0.0161 0.0618
Trypanosoma cruzi trypanothione reductase, putative 0.0045 0.0067 0.0154
Brugia malayi glutathione reductase 0.0045 0.0067 0.0067
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0048 0.0074 0.2616
Mycobacterium tuberculosis Probable dehydrogenase 0.0102 0.0185 0.8837
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0011 0.0011
Brugia malayi AMP-binding enzyme family protein 0.0027 0.003 0.003
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0015 0.0006 0.0419
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.003 0.006
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0074 0.0127 1
Giardia lamblia PHD finger protein 15 0.0027 0.0031 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0074 0.0127 0.4706
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0113 0.0208 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0011 0.0794
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0074 0.0127 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0074 0.0073
Trypanosoma cruzi ISWI complex protein 0.0017 0.001 0.001
Trichomonas vaginalis mercuric reductase, putative 0.0015 0.0006 0.01
Loa Loa (eye worm) hypothetical protein 0.0056 0.009 0.0089
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0113 0.0208 1
Echinococcus granulosus Chromobox protein 3 0.0013 0.0001 0.000000011325
Schistosoma mansoni chromobox protein 0.0079 0.0137 0.5099
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0074 0.0127 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0014 0.0494
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.003 0.006
Brugia malayi chromobox protein homolog 3 0.0044 0.0066 0.0066
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0016 0.0788
Loa Loa (eye worm) hypothetical protein 0.0035 0.0046 0.0045
Leishmania major hypothetical protein, conserved 0.0017 0.001 0.001
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0042 0.0157
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.003 0.1951
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0045 0.0067 0.2985
Schistosoma mansoni chromobox protein 0.0079 0.0137 0.5099
Plasmodium vivax thioredoxin reductase, putative 0.0045 0.0067 0.5208
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0011 0.3471
Plasmodium falciparum thioredoxin reductase 0.0015 0.0006 0.0419
Schistosoma mansoni jumonji domain containing protein 0.0072 0.0122 0.4535
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0016 0.1174
Loa Loa (eye worm) glutathione reductase 0.0045 0.0067 0.0066
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0048 0.018
Trichomonas vaginalis set domain proteins, putative 0.0268 0.0529 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0011 0.0012
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0015 0.0006 0.0017
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0015 0.0006 0.0419
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0025 0.0027 0.2055
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.003 0.006
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0011 0.1896
Toxoplasma gondii PHD-finger domain-containing protein 0.0027 0.0031 0.2398
Loa Loa (eye worm) hypothetical protein 0.002 0.0016 0.0015
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0058 0.0222
Onchocerca volvulus 0.0035 0.0046 0.0852
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.003 1
Brugia malayi Pre-SET motif family protein 0.0034 0.0044 0.0044
Plasmodium vivax glutathione reductase, putative 0.0045 0.0067 0.5208
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0013 0.0001 0.0001
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0011 0.0189
Brugia malayi Protein cec-1. 0.0013 0.0001 0.0001
Echinococcus granulosus chromobox protein 1 0.0079 0.0137 0.0528
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0011 0.0012
Schistosoma mansoni hypothetical protein 0.0027 0.0031 0.1128
Leishmania major malonyl-coa decarboxylase-like protein 0.1904 0.3914 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0027 0.0031 0.2398
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0027 0.0101
Toxoplasma gondii hypothetical protein 0.0025 0.0027 0.2055
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0011 0.001
Plasmodium falciparum glutathione reductase 0.0045 0.0067 0.5208
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0029
Onchocerca volvulus 0.0268 0.0529 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0048 0.0074 0.0284
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0014 0.0051
Loa Loa (eye worm) hypothetical protein 0.008 0.014 0.0139
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0074 0.0127 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0006 0.002
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0102 0.0185 0.8837
Echinococcus multilocularis PHD finger protein rhinoceros 0.0027 0.0031 0.0117
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0015 0.0006 0.0419
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0066 0.1226
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0074 0.0127 1
Echinococcus granulosus chromobox protein 1 0.0079 0.0137 0.0528
Loa Loa (eye worm) heterochromatin protein 1 0.0079 0.0137 0.0136
Brugia malayi jmjC domain containing protein 0.0035 0.0048 0.0048
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0016 0.1174
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.0461 0.046
Brugia malayi Bromodomain containing protein 0.003 0.0037 0.0037
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0084 0.3107
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.003 0.1951
Leishmania major trypanothione reductase 0.0045 0.0067 0.0154
Brugia malayi Associated with TFs and helicases family protein 0.0013 0.0001 0.0001
Trypanosoma cruzi ISWI complex protein 0.0017 0.001 0.001
Brugia malayi Bromodomain containing protein 0.0043 0.0064 0.0064
Echinococcus granulosus PHD finger protein rhinoceros 0.0027 0.0031 0.0117
Onchocerca volvulus 0.0056 0.009 0.1688
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1904 0.3914 1
Echinococcus granulosus tm gpcr rhodopsin 0.1261 0.2584 1
Echinococcus multilocularis Chromobox protein 3 0.0013 0.0001 0.000000011325
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.003 0.0162
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0074 0.0127 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0006 0.0197
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0058 0.0222
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1904 0.3914 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.003 0.1165
Trypanosoma brucei trypanothione reductase 0.0045 0.0067 0.0154
Echinococcus multilocularis thioredoxin glutathione reductase 0.0045 0.0067 0.0254
Loa Loa (eye worm) hypothetical protein 0.4846 1 1
Schistosoma mansoni zinc finger protein 0.0017 0.001 0.0341
Loa Loa (eye worm) hypothetical protein 0.0053 0.0084 0.0083
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0048 0.0074 0.3369
Loa Loa (eye worm) hypothetical protein 0.002 0.0016 0.0015
Plasmodium vivax hypothetical protein, conserved 0.0027 0.0031 0.2398
Loa Loa (eye worm) hypothetical protein 0.0074 0.0127 0.0126
Brugia malayi Heterochromatin protein 1 0.0079 0.0137 0.0137
Echinococcus granulosus peptidase Clp S14 family 0.0048 0.0074 0.0284
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0014 0.0358
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.003 0.1951
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.003 0.1951
Brugia malayi AMP-binding enzyme family protein 0.0027 0.003 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0066 0.1226
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0025 0.0027 0.1708
Echinococcus multilocularis jumonji domain containing protein 0.0038 0.0053 0.0203
Echinococcus multilocularis zinc finger protein 0.0022 0.002 0.0074
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0014 0.0358
Trichomonas vaginalis chromobox protein, putative 0.0048 0.0073 0.1358
Brugia malayi Bromodomain containing protein 0.0085 0.015 0.015
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0074 0.0127 0.5514
Brugia malayi M-phase phosphoprotein, mpp8 0.0013 0.0001 0.0001
Plasmodium falciparum thioredoxin reductase 0.0045 0.0067 0.5208
Brugia malayi jmjC domain containing protein 0.009 0.0161 0.0161
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0048 0.1743
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.4846 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0084 0.0322
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0048 0.0074 0.3369
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0074 0.0127 0.0487
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0044 0.3431
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0014 0.0358
Loa Loa (eye worm) hypothetical protein 0.0047 0.0072 0.0071
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0092 0.0091
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0016 0.0788
Onchocerca volvulus 0.0027 0.003 0.0546
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0074 0.0127 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0011 0.0234
Brugia malayi hypothetical protein 0.0013 0.0001 0.0001
Echinococcus multilocularis chromobox protein 1 0.0079 0.0137 0.0528
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1261 0.2584 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0074 0.0127 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0011 0.0189
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.003 0.1951
Loa Loa (eye worm) hypothetical protein 0.0044 0.0066 0.0065
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.003 0.1951
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0014 0.0051
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0006 0.002
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0015 0.0006 0.0419
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0011 0.0005
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0917 0.1872 0.7242
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.009 0.0161 0.0618
Schistosoma mansoni ap endonuclease 0.0018 0.0011 0.0374
Brugia malayi AMP-binding enzyme family protein 0.0027 0.003 0.003
Plasmodium falciparum glutathione reductase 0.0015 0.0006 0.0419
Brugia malayi SET domain containing protein 0.0014 0.0004 0.0004
Toxoplasma gondii NADPH-glutathione reductase 0.0015 0.0006 0.0419
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0102 0.0185 0.8837
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0027 0.0975
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0011 0.0012
Loa Loa (eye worm) hypothetical protein 0.0043 0.0064 0.0063
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0016 0.0015
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0074 0.0127 0.0487
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.0114 0.0437
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0048 0.0047
Echinococcus granulosus tumor protein p63 0.0382 0.0765 0.2957
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.003 0.1165
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0047 0.0071 0.2612
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0015 0.0006 0.0167
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0016 0.047
Plasmodium vivax SET domain protein, putative 0.0034 0.0044 0.3431
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0029
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0029
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0039 0.0721
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.003 0.1951
Echinococcus granulosus thioredoxin glutathione reductase 0.0045 0.0067 0.0254
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0102 0.0185 0.8837

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Functional bioactivity against delta opioid receptor in mouse vas deferens ChEMBL. 16759107
IC50 (binding) = 120 nM Functional bioactivity against mu opioid receptor in guinea-pig ileum ChEMBL. 16759107
IC50 (binding) = 120 nM Functional bioactivity against mu opioid receptor in guinea-pig ileum ChEMBL. 16759107
IC50 (functional) = 200 nM Functional bioactivity against delta opioid receptor in mouse vas deferens ChEMBL. 16759107
IC50 (functional) = 200 nM Functional bioactivity against delta opioid receptor in mouse vas deferens ChEMBL. 16759107
Ki (binding) = 251.7 nM Displacement of [3H]DAMGO from rat mu opioid receptor in brain P2 synaptosomes ChEMBL. 16759107
Ki (binding) = 251.7 nM Displacement of [3H]DAMGO from rat mu opioid receptor in brain P2 synaptosomes ChEMBL. 16759107
Ki (binding) = 668.4 nM Displacement of [3H]deltorphin C from rat delta opioid receptor in brain P2 synaptosomes ChEMBL. 16759107
Ki (binding) = 668.4 nM Displacement of [3H]deltorphin C from rat delta opioid receptor in brain P2 synaptosomes ChEMBL. 16759107
max activation (functional) = 20 % Functional bioactivity against delta opioid receptor in mouse vas deferens ChEMBL. 16759107
max activation (functional) = 20 % Functional bioactivity against delta opioid receptor in mouse vas deferens ChEMBL. 16759107
Ratio Ki (binding) = 2.7 Selectivity for rat mu opioid receptor over delta opioid receptor ChEMBL. 16759107

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.

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