Detailed information for compound 1038970

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.441 | Formula: C26H32BrNO3
  • H donors: 0 H acceptors: 1 LogP: 4.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@]12CCC(=O)C[C@]32CCN(C1Cc1c3c(OC)ccc1)CCc1ccccc1.Br
  • InChi: 1S/C26H31NO3.BrH/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19;/h3-10,23H,11-18H2,1-2H3;1H/t23?,25-,26-;/m1./s1
  • InChiKey: RZMPTMIOTXYHCQ-UUVYGOEKSA-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 No references
Homo sapiens opioid receptor, delta 1 Starlite/ChEMBL No references
Cavia porcellus Kappa opioid receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_139759 All targets in OG5_139759
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_139759 All targets in OG5_139759
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Onchocerca volvulus Programmed cell death protein 5 homolog Kappa opioid receptor   380 aa 316 aa 22.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 86 aa 33.7 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 88 aa 23.9 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Kappa opioid receptor   380 aa 326 aa 25.2 %
Echinococcus multilocularis neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Echinococcus multilocularis allatostatin A receptor Kappa opioid receptor   380 aa 313 aa 27.2 %
Schistosoma mansoni rhodopsin-like orphan GPCR Mu opioid receptor   98 aa 85 aa 25.9 %
Schistosoma japonicum Muscarinic acetylcholine receptor M1, putative Mu opioid receptor   98 aa 95 aa 30.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
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 %
Brugia malayi GnHR receptor homolog Kappa opioid receptor   380 aa 341 aa 20.2 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 81 aa 35.8 %
Echinococcus granulosus somatostatin receptor Kappa opioid receptor   380 aa 342 aa 19.6 %
Echinococcus granulosus alpha 1A adrenergic receptor Mu opioid receptor   98 aa 92 aa 21.7 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 98 aa 35.7 %
Onchocerca volvulus Phospholipase d-related homolog Kappa opioid receptor   380 aa 326 aa 20.9 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 38.2 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 81 aa 34.6 %
Echinococcus granulosus tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Echinococcus multilocularis growth hormone secretagogue receptor type 1 Kappa opioid receptor   380 aa 306 aa 21.2 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 36.1 %
Onchocerca volvulus Mitogen-activated protein kinase kinase kinase 8 homolog Kappa opioid receptor   380 aa 395 aa 20.3 %
Schistosoma japonicum ko:K04255 opsin 4 (melanopsin), putative Kappa opioid receptor   380 aa 352 aa 20.2 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Mu opioid receptor   98 aa 79 aa 36.7 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 98 aa 37.8 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 97 aa 38.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 25.9 %
Echinococcus multilocularis serotonin receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 93 aa 36.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Kappa opioid receptor   380 aa 403 aa 23.3 %
Onchocerca volvulus Mu opioid receptor   98 aa 101 aa 20.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   98 aa 85 aa 32.9 %
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Schistosoma mansoni adenoreceptor Mu opioid receptor   98 aa 88 aa 38.6 %
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Schistosoma japonicum Probable G-protein coupled receptor No9, putative Mu opioid receptor   98 aa 95 aa 28.4 %
Schistosoma japonicum ko:K04165 Oamb gene product from transcript, putative Mu opioid receptor   98 aa 79 aa 34.2 %
Schistosoma mansoni peptide (allatostatin)-like receptor Mu opioid receptor   98 aa 96 aa 36.5 %
Brugia malayi ORL1-like opioid receptor Kappa opioid receptor   380 aa 312 aa 25.3 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 22.5 %
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Mu opioid receptor   98 aa 97 aa 37.1 %
Echinococcus granulosus neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 93 aa 30.1 %
Brugia malayi larval opioid receptor Mu opioid receptor   98 aa 100 aa 24.0 %
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 %
Echinococcus granulosus allatostatin A receptor Kappa opioid receptor   380 aa 317 aa 28.4 %
Onchocerca volvulus 26S proteasome non-ATPase regulatory subunit 1 homolog Mu opioid receptor   98 aa 80 aa 28.8 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 25.8 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 93 aa 25.8 %
Schistosoma mansoni growth hormone secretagogue receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Kappa opioid receptor   380 aa 389 aa 25.7 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 89 aa 31.5 %
Echinococcus multilocularis neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Onchocerca volvulus 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 japonicum Neuropeptide Y receptor type 2, putative Mu opioid receptor   98 aa 79 aa 31.6 %
Brugia malayi Melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 98 aa 31.6 %
Onchocerca volvulus Phosphoinositide 3-kinase adapter subunit homolog Kappa opioid receptor   380 aa 323 aa 22.6 %
Echinococcus multilocularis neuropeptide Y receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Schistosoma japonicum Rhodopsin, putative Kappa opioid receptor   380 aa 329 aa 23.1 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 88 aa 39.8 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 319 aa 21.6 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 85 aa 37.6 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 100 aa 29.0 %
Schistosoma mansoni rhodopsin-like orphan GPCR Kappa opioid receptor   380 aa 379 aa 22.4 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Kappa opioid receptor   380 aa 313 aa 26.2 %
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 96 aa 30.2 %
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Mu opioid receptor   98 aa 100 aa 28.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 21.5 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Mu opioid receptor   98 aa 92 aa 32.6 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 96 aa 31.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 35.0 %
Echinococcus multilocularis rhodopsin orphan GPCR Mu opioid receptor   98 aa 80 aa 23.8 %
Onchocerca volvulus Mu opioid receptor   98 aa 100 aa 25.0 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 79 aa 29.1 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Mu opioid receptor   98 aa 98 aa 34.7 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Kappa opioid receptor   380 aa 334 aa 25.4 %
Onchocerca volvulus Mu opioid receptor   98 aa 85 aa 24.7 %
Schistosoma mansoni thyrotropin-releasing hormone receptor Mu opioid receptor   98 aa 100 aa 27.0 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 23.9 %
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Schistosoma mansoni amine GPCR Mu opioid receptor   98 aa 86 aa 32.6 %
Echinococcus granulosus neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor Mu opioid receptor   98 aa 80 aa 37.5 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Mu opioid receptor   98 aa 93 aa 33.3 %
Schistosoma mansoni opsin-like receptor Mu opioid receptor   98 aa 80 aa 25.0 %
Loa Loa (eye worm) melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 31.5 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 27.4 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 320 aa 20.6 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Mu opioid receptor   98 aa 99 aa 36.4 %
Echinococcus multilocularis biogenic amine (5HT) receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 96 aa 28.1 %
Loa Loa (eye worm) TYRA-2 protein Mu opioid receptor   98 aa 87 aa 31.0 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 91 aa 38.5 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 24.2 %
Onchocerca volvulus Kappa opioid receptor   380 aa 374 aa 27.5 %
Loa Loa (eye worm) neuropeptide F receptor Mu opioid receptor   98 aa 80 aa 33.8 %
Schistosoma mansoni hypothetical protein Mu opioid receptor   98 aa 100 aa 23.0 %
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Mu opioid receptor   98 aa 80 aa 31.2 %
Echinococcus granulosus thyrotropin releasing hormone receptor Kappa opioid receptor   380 aa 392 aa 25.8 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 34.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 33.3 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 88 aa 37.5 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 90 aa 28.9 %
Brugia malayi Serotonin/octopamine receptor family protein 7 Mu opioid receptor   98 aa 85 aa 32.9 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Mu opioid receptor   98 aa 96 aa 32.3 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 95 aa 32.6 %
Schistosoma japonicum FMRFamide receptor, putative Mu opioid receptor   98 aa 109 aa 28.4 %
Brugia malayi G protein-coupled receptor Mu opioid receptor   98 aa 90 aa 31.1 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Mu opioid receptor   98 aa 97 aa 36.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Muscleblind-like protein 0.0174 0.1221 0.1362
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0088 0.0509 0.0545
Echinococcus multilocularis microtubule associated protein 2 0.0805 0.641 0.8468
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0786 0.625 0.8958
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0032 0.0048 0.0018
Brugia malayi TAR-binding protein 0.0124 0.0809 0.0889
Trichomonas vaginalis mercuric reductase, putative 0.0119 0.077 0.0725
Echinococcus multilocularis muscleblind protein 0.0174 0.1221 0.1613
Mycobacterium tuberculosis Conserved protein 0.0075 0.0406 0.0517
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0119 0.077 0.2803
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0262 0.0346
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0119 0.077 0.245
Toxoplasma gondii NADPH-glutathione reductase 0.0119 0.077 0.245
Brugia malayi Pre-SET motif family protein 0.1091 0.876 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0119 0.077 0.2803
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0032 0.0048 0.0064
Schistosoma mansoni hypothetical protein 0.0534 0.4182 0.4706
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0406 0.0517
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1091 0.876 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0119 0.077 0.2803
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0119 0.077 0.0836
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0119 0.077 0.2803
Onchocerca volvulus 0.0075 0.0406 0.0375
Plasmodium falciparum pyruvate kinase 0.0033 0.0057 0.0032
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0057 0.0012
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0115 0.0094
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.0458 0.0482
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0262 0.026
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0057 0.0024
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0262 0.0359
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0406 0.0517
Mycobacterium tuberculosis Possible penicillin-binding protein 0.048 0.374 0.5332
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0786 0.625 0.8958
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0266 0.0267
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 0.0348 0.0433
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0119 0.077 0.2803
Loa Loa (eye worm) hypothetical protein 0.0075 0.0406 0.0428
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0119 0.077 0.2803
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.0348 0.0494
Onchocerca volvulus 0.0156 0.1075 0.1045
Schistosoma mansoni hypothetical protein 0.004 0.0115 0.0093
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0786 0.625 0.8958
Schistosoma mansoni microtubule-associated protein tau 0.0805 0.641 0.7233
Leishmania major pyruvate kinase 0.0033 0.0057 0.0028
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0032 0.0048 0.5
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0057 0.0027
Schistosoma mansoni pyruvate kinase 0.0033 0.0057 0.0027
Echinococcus multilocularis muscleblind protein 1 0.0174 0.1221 0.1613
Mycobacterium tuberculosis Conserved protein 0.0075 0.0406 0.0517
Loa Loa (eye worm) beta-lactamase 0.0075 0.0406 0.0428
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0033 0.0043
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0119 0.077 0.0844
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0119 0.077 0.1042
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0057 0.0028
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0406 0.0537
Schistosoma mansoni sulfide quinone reductase 0.0032 0.0048 0.0018
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0406 0.0517
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0262 0.0346
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0033 0.0043
Entamoeba histolytica thioredoxin reductase, putative 0.0032 0.0048 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0119 0.077 0.2803
Loa Loa (eye worm) hypothetical protein 0.0075 0.0406 0.0428
Mycobacterium ulcerans aldehyde dehydrogenase 0.0389 0.2991 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0119 0.077 0.2803
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0406 0.0424
Brugia malayi jmjC domain containing protein 0.0058 0.0262 0.0262
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0873 0.6972 1
Brugia malayi beta-lactamase family protein 0.0075 0.0406 0.0428
Trypanosoma cruzi trypanothione reductase, putative 0.0344 0.2621 1
Schistosoma mansoni hypothetical protein 0.0032 0.0048 0.0018
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0057 0.0032
Echinococcus granulosus tar DNA binding protein 0.0124 0.0809 0.1217
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0057 0.0008
Loa Loa (eye worm) hypothetical protein 0.0081 0.0458 0.0487
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0119 0.077 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0119 0.077 0.2803
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0119 0.077 0.245
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0057 0.0024
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0057 0.0032
Brugia malayi beta-lactamase 0.0075 0.0406 0.0428
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0032 0.0048 0.0018
Leishmania major hypothetical protein, conserved 0.0075 0.0406 0.1217
Trypanosoma brucei trypanothione reductase 0.0344 0.2621 1
Echinococcus multilocularis pyruvate kinase 0.0033 0.0057 0.0075
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0057 0.0032
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.0809 0.0889
Mycobacterium ulcerans glutaminase 0.0268 0.1991 0.6602
Brugia malayi Thioredoxin reductase 0.0344 0.2621 0.2965
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0088 0.0509 0.0545
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0406 0.1392
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0156 0.1075 0.142
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0119 0.077 0.2803
Schistosoma mansoni aldehyde dehydrogenase 0.0389 0.2991 0.3356
Entamoeba histolytica disulphide oxidoreductase, putative 0.0032 0.0048 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0389 0.2991 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0032 0.0048 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0406 0.0517
Schistosoma mansoni tar DNA-binding protein 0.0124 0.0809 0.088
Echinococcus granulosus tm gpcr rhodopsin 0.0634 0.5 0.7789
Plasmodium falciparum thioredoxin reductase 0.0119 0.077 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0119 0.077 0.2803
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0406 0.1392
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0032 0.0048 0.0024
Mycobacterium ulcerans hypothetical protein 0.0075 0.0406 0.1217
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0068 0.0348 0.0358
Onchocerca volvulus 0.0075 0.0406 0.0375
Echinococcus granulosus histone lysine methyltransferase setb 0.0156 0.1075 0.1634
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.0458 0.0487
Echinococcus multilocularis thioredoxin glutathione reductase 0.0348 0.2648 0.3498
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0276 0.0278
Loa Loa (eye worm) hypothetical protein 0.0075 0.0406 0.0428
Echinococcus granulosus microtubule associated protein 2 0.0805 0.641 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0262 0.026
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0406 0.036
Plasmodium vivax SET domain protein, putative 0.0156 0.1075 0.399
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0032 0.0048 0.0064
Leishmania major trypanothione reductase 0.0344 0.2621 0.8741
Toxoplasma gondii ABC1 family protein 0.0075 0.0406 0.1217
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0406 0.1217
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.0348 0.1018
Echinococcus granulosus pyruvate kinase 0.0033 0.0057 0.0037
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0946 0.7569 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0156 0.1075 0.1182
Trichomonas vaginalis esterase, putative 0.0075 0.0406 0.036
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0119 0.077 0.1017
Echinococcus granulosus thioredoxin glutathione reductase 0.0348 0.2648 0.41
Schistosoma mansoni glutamate synthase 0.0032 0.0048 0.0018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0266 0.0267
Loa Loa (eye worm) hypothetical protein 0.0075 0.0406 0.0428
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0032 0.0048 0.0024
Schistosoma mansoni glutamate synthase 0.0032 0.0048 0.0018
Schistosoma mansoni glutamate synthase 0.0032 0.0048 0.0018
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0119 0.077 0.245
Treponema pallidum NADH oxidase 0.0119 0.077 1
Loa Loa (eye worm) glutathione reductase 0.0344 0.2621 0.2965
Plasmodium vivax thioredoxin reductase, putative 0.0344 0.2621 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0119 0.077 0.245
Schistosoma mansoni tar DNA-binding protein 0.0124 0.0809 0.088
Loa Loa (eye worm) glutaminase 0.0268 0.1991 0.2244
Schistosoma mansoni hypothetical protein 0.0534 0.4182 0.4706
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0406 0.036
Brugia malayi RNA binding protein 0.0124 0.0809 0.0889
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0057 0.0008
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0068 0.0348 0.1018
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0033 0.0043
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0033 0.0043
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0344 0.2621 0.3716
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0634 0.5 0.6606
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0406 0.036
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0032 0.0048 0.0024
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0119 0.077 0.245
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0262 0.026
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0262 0.0359
Schistosoma mansoni disulfide oxidoreductase 0.0032 0.0048 0.0018
Trichomonas vaginalis set domain proteins, putative 0.1241 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0119 0.077 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0057 0.0027
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0032 0.0048 0.0024
Loa Loa (eye worm) glutaminase 2 0.0268 0.1991 0.2244
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0406 0.036
Chlamydia trachomatis pyruvate kinase 0.0033 0.0057 0.0115
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0406 0.1217
Echinococcus multilocularis tar DNA binding protein 0.0124 0.0809 0.1069
Brugia malayi glutamate synthase 0.0032 0.0048 0.0018
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0032 0.0048 0.0024
Loa Loa (eye worm) hypothetical protein 0.0174 0.1221 0.1362
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0266 0.0267
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0057 0.0027
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0406 0.036
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0406 0.0517
Trichomonas vaginalis glutathione reductase, putative 0.0119 0.077 0.0725
Echinococcus multilocularis geminin 0.0534 0.4182 0.5524
Trichomonas vaginalis glutaminase, putative 0.0268 0.1991 0.1952
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0057 0.0027
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0406 0.0586
Echinococcus granulosus pyruvate kinase 0.0033 0.0057 0.0037
Mycobacterium ulcerans aldehyde dehydrogenase 0.0389 0.2991 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0266 0.0267
Giardia lamblia NADH oxidase lateral transfer candidate 0.0119 0.077 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0406 0.0428
Plasmodium vivax glutathione reductase, putative 0.0344 0.2621 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0068 0.0348 0.0361
Brugia malayi Pre-SET motif family protein 0.0156 0.1075 0.1194
Toxoplasma gondii thioredoxin reductase 0.0344 0.2621 0.8741
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0389 0.2991 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0119 0.077 0.2803
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0156 0.1075 0.1182
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0032 0.0048 0.5
Schistosoma mansoni sulfide quinone reductase 0.0032 0.0048 0.0018
Brugia malayi jmjC domain containing protein 0.0058 0.0262 0.0262
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.0809 0.0889
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0406 0.0428
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0786 0.625 0.8958
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.0458 0.0605
Schistosoma mansoni tar DNA-binding protein 0.0124 0.0809 0.088
Schistosoma mansoni tar DNA-binding protein 0.0124 0.0809 0.088
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0032 0.0048 0.0064
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0389 0.2991 0.4639
Loa Loa (eye worm) hypothetical protein 0.0174 0.1221 0.1362
Onchocerca volvulus 0.0081 0.0458 0.0427
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0406 0.1392
Loa Loa (eye worm) RNA binding protein 0.0124 0.0809 0.0889
Giardia lamblia Pyruvate kinase 0.0033 0.0057 0.0115
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0406 0.0517
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0057 0.0027
Echinococcus granulosus glutamate synthase 0.0032 0.0048 0.0024
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0057 0.0032
Leishmania major pyruvate kinase 0.0033 0.0057 0.0028
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0119 0.077 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0119 0.077 0.245
Mycobacterium tuberculosis Probable reductase 0.0786 0.625 0.8958
Brugia malayi glutaminase DH11.1 0.0268 0.1991 0.2244
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0406 0.0428
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0119 0.077 0.245
Plasmodium falciparum thioredoxin reductase 0.0344 0.2621 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0262 0.0262
Brugia malayi glutathione reductase 0.0344 0.2621 0.2965
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0119 0.077 0.2803
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0032 0.0048 0.0024
Loa Loa (eye worm) hypothetical protein 0.004 0.0115 0.0094
Mycobacterium ulcerans lipase LipD 0.0075 0.0406 0.1217
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0032 0.0048 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0873 0.6972 1
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0406 0.0517
Onchocerca volvulus 0.0032 0.0048 0.0016
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0033 0.0043
Loa Loa (eye worm) programmed cell death 8 0.0032 0.0048 0.0018
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0032 0.0048 0.0064
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0873 0.6972 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0119 0.077 0.245
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0057 0.0028
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0389 0.2991 0.3952
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0057 0.0024
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0156 0.1075 0.3488
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0119 0.077 0.1155
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0033 0.0043
Brugia malayi beta-lactamase family protein 0.0075 0.0406 0.0428
Loa Loa (eye worm) TAR-binding protein 0.0124 0.0809 0.0889
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0032 0.0048 0.0064
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0406 0.0424
Schistosoma mansoni glutaminase 0.0268 0.1991 0.2221
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0032 0.0048 0.5
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0057 0.0032
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0786 0.625 0.8958
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0389 0.2991 0.4251
Echinococcus granulosus muscleblind protein 0.0174 0.1221 0.1864
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0057 0.0027
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0119 0.077 0.2803
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0406 0.1392
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0033 0.0043
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0033 0.0043
Loa Loa (eye worm) thioredoxin reductase 0.0344 0.2621 0.2965
Schistosoma mansoni pyruvate kinase 0.0033 0.0057 0.0027
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.0348 0.1018
Mycobacterium tuberculosis Probable oxidoreductase 0.0873 0.6972 1
Mycobacterium ulcerans beta-lactamase 0.0075 0.0406 0.1217
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0151 0.1027 0.156
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0156 0.1075 0.1182
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0406 0.0517
Schistosoma mansoni aldehyde dehydrogenase 0.0389 0.2991 0.3356
Echinococcus granulosus geminin 0.0534 0.4182 0.6506
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0156 0.1075 0.142
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.0348 0.046
Loa Loa (eye worm) hypothetical protein 0.0032 0.0048 0.0018
Echinococcus multilocularis pyruvate kinase 0.0033 0.0057 0.0075
Trypanosoma cruzi trypanothione reductase, putative 0.0119 0.077 0.2803
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0032 0.0048 0.0018
Plasmodium falciparum glutathione reductase 0.0344 0.2621 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0406 0.0428
Mycobacterium tuberculosis Probable dehydrogenase 0.0786 0.625 0.8958
Plasmodium falciparum glutathione reductase 0.0119 0.077 0.2803
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0033 0.0043
Mycobacterium ulcerans aldehyde dehydrogenase 0.0389 0.2991 1
Schistosoma mansoni tar DNA-binding protein 0.0124 0.0809 0.088
Onchocerca volvulus 0.0075 0.0406 0.0375
Loa Loa (eye worm) hypothetical protein 0.0156 0.1075 0.1194
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0032 0.0048 0.0018
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0057 0.0012
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.0458 0.0667
Mycobacterium leprae Probable lipase LipE 0.0075 0.0406 0.0517
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0119 0.077 0.2803
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0156 0.1075 0.1182
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0032 0.0048 0.0064
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0119 0.077 0.2803
Mycobacterium tuberculosis Conserved protein 0.0075 0.0406 0.0517
Echinococcus multilocularis glutamate synthase 0.0032 0.0048 0.0064

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 11.8 nM Effective concentration of compound required for in vitro agonist activity on mouse vas deferens preparation ChEMBL. No reference
Ke (functional) = 1.67 nM In vitro evaluation of antagonist activity of the compound induced by naloxone on mouse vas deferens preparation ChEMBL. No reference
Ki (binding) = 0.9 nM Binding affinity of the compound was determined by its ability to displace [3H]-DAMGO from mu receptor in homogenates of guinea pig brain ChEMBL. No reference
Ki (binding) = 48.6 nM Binding affinity of the compound was determined by its ability to displace [3H]-DPDPE from delta receptor in homogenates of guinea pig brain ChEMBL. No reference
Ki (binding) = 690 nM Binding affinity of the compound was determined by its ability to displace [3H]-U-69,593 from kappa receptor in homogenates of guinea pig brain ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23

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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