Detailed information for compound 174782

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.407 | Formula: C19H25NO3
  • H donors: 2 H acceptors: 2 LogP: 2.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1CC[C@@H]2[C@@]3([C@H]1Oc1c3cccc1O)CCN(C2)CC1CC1
  • InChi: 1S/C19H25NO3/c21-15-3-1-2-14-17(15)23-18-16(22)7-6-13-11-20(10-12-4-5-12)9-8-19(13,14)18/h1-3,12-13,16,18,21-22H,4-11H2/t13-,16-,18-,19-/m0/s1
  • InChiKey: KTXMLKWFHNEBJM-FDARSICLSA-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 Kappa opioid receptor Starlite/ChEMBL References
Homo sapiens sigma non-opioid intracellular receptor 1 Starlite/ChEMBL References
Homo sapiens 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
Leishmania infantum C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Brugia malayi ERG2 and Sigma1 receptor like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania braziliensis C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma cruzi C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei gambiense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_139759 All targets in OG5_139759
Leishmania major C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_139759 All targets in OG5_139759
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania donovani C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania mexicana C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Mu opioid receptor   98 aa 80 aa 31.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 31.6 %
Schistosoma japonicum FMRFamide receptor, putative Mu opioid receptor   98 aa 109 aa 28.4 %
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 85 aa 37.6 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Mu opioid receptor   98 aa 98 aa 34.7 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Kappa opioid receptor   380 aa 403 aa 23.3 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Kappa opioid receptor   380 aa 326 aa 25.2 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 88 aa 39.8 %
Schistosoma japonicum ko:K04165 Oamb gene product from transcript, putative Mu opioid receptor   98 aa 79 aa 34.2 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 24.2 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 91 aa 38.5 %
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 96 aa 28.1 %
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Brugia malayi Melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a Mu opioid receptor   98 aa 96 aa 29.2 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 100 aa 29.0 %
Onchocerca volvulus Mitogen-activated protein kinase kinase kinase 8 homolog Kappa opioid receptor   380 aa 395 aa 20.3 %
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 neuropeptide receptor Mu opioid receptor   98 aa 81 aa 34.6 %
Echinococcus granulosus neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Mu opioid receptor   98 aa 100 aa 28.0 %
Echinococcus granulosus thyrotropin releasing hormone receptor Kappa opioid receptor   380 aa 392 aa 25.8 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 86 aa 33.7 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Kappa opioid receptor   380 aa 389 aa 25.7 %
Schistosoma japonicum Neuropeptide Y receptor, putative Mu opioid receptor   98 aa 88 aa 23.9 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Mu opioid receptor   98 aa 90 aa 28.9 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 27.4 %
Onchocerca volvulus Mu opioid receptor   98 aa 93 aa 36.6 %
Onchocerca volvulus Mu opioid receptor   98 aa 87 aa 32.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 89 aa 31.5 %
Loa Loa (eye worm) melatonin receptor type 1A Mu opioid receptor   98 aa 80 aa 22.5 %
Brugia malayi Serotonin/octopamine receptor family protein 7 Mu opioid receptor   98 aa 85 aa 32.9 %
Echinococcus granulosus tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Echinococcus multilocularis rhodopsin orphan GPCR Mu opioid receptor   98 aa 80 aa 23.8 %
Schistosoma japonicum Neuropeptide Y receptor type 2, putative Mu opioid receptor   98 aa 79 aa 31.6 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Kappa opioid receptor   380 aa 334 aa 25.4 %
Echinococcus granulosus neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Brugia malayi GnHR receptor homolog Kappa opioid receptor   380 aa 341 aa 20.2 %
Echinococcus granulosus somatostatin receptor Kappa opioid receptor   380 aa 342 aa 19.6 %
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 93 aa 30.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Mu opioid receptor   98 aa 92 aa 32.6 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 98 aa 37.8 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Mu opioid receptor   98 aa 97 aa 36.1 %
Echinococcus granulosus alpha 1A adrenergic receptor Mu opioid receptor   98 aa 92 aa 21.7 %
Echinococcus multilocularis serotonin receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 25.8 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   98 aa 85 aa 32.9 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 81 aa 24.7 %
Brugia malayi larval opioid receptor Mu opioid receptor   98 aa 100 aa 24.0 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 34.0 %
Echinococcus granulosus g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Onchocerca volvulus Programmed cell death protein 5 homolog Kappa opioid receptor   380 aa 316 aa 22.2 %
Schistosoma japonicum Muscarinic acetylcholine receptor M1, putative Mu opioid receptor   98 aa 95 aa 30.5 %
Brugia malayi ORL1-like opioid receptor Kappa opioid receptor   380 aa 312 aa 25.3 %
Echinococcus multilocularis allatostatin A receptor Kappa opioid receptor   380 aa 313 aa 27.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 85 aa 24.7 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 98 aa 31.6 %
Loa Loa (eye worm) TYRA-2 protein Mu opioid receptor   98 aa 87 aa 31.0 %
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor Mu opioid receptor   98 aa 80 aa 37.5 %
Schistosoma mansoni hypothetical protein Mu opioid receptor   98 aa 100 aa 23.0 %
Schistosoma mansoni adenoreceptor Mu opioid receptor   98 aa 88 aa 38.6 %
Schistosoma mansoni growth hormone secretagogue receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 27.8 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Mu opioid receptor   98 aa 96 aa 32.3 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 96 aa 31.2 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 33.3 %
Schistosoma mansoni amine GPCR Mu opioid receptor   98 aa 86 aa 32.6 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Mu opioid receptor   98 aa 96 aa 31.2 %
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 92 aa 31.5 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Mu opioid receptor   98 aa 79 aa 36.7 %
Schistosoma mansoni neuropeptide receptor Mu opioid receptor   98 aa 93 aa 24.7 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 35.0 %
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 mansoni biogenic amine (octopamine/dopamine) receptor Mu opioid receptor   98 aa 93 aa 33.3 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 97 aa 38.1 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 320 aa 20.6 %
Echinococcus multilocularis neuropeptide receptor Mu opioid receptor   98 aa 88 aa 22.7 %
Onchocerca volvulus Phospholipase d-related homolog Kappa opioid receptor   380 aa 326 aa 20.9 %
Onchocerca volvulus Mu opioid receptor   98 aa 101 aa 20.8 %
Onchocerca volvulus Phosphoinositide 3-kinase adapter subunit homolog Kappa opioid receptor   380 aa 323 aa 22.6 %
Schistosoma japonicum Rhodopsin, putative Kappa opioid receptor   380 aa 329 aa 23.1 %
Echinococcus multilocularis tachykinin peptides receptor 99D Mu opioid receptor   98 aa 93 aa 25.8 %
Schistosoma mansoni peptide (allatostatin)-like receptor Mu opioid receptor   98 aa 96 aa 36.5 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Kappa opioid receptor   380 aa 313 aa 26.2 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 92 aa 23.9 %
Echinococcus multilocularis biogenic amine (5HT) receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Mu opioid receptor   98 aa 89 aa 38.2 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 79 aa 29.1 %
Echinococcus multilocularis neuropeptide FF receptor 2 Mu opioid receptor   98 aa 84 aa 31.0 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 319 aa 21.6 %
Schistosoma japonicum ko:K04255 opsin 4 (melanopsin), putative Kappa opioid receptor   380 aa 352 aa 20.2 %
Echinococcus multilocularis growth hormone secretagogue receptor type 1 Kappa opioid receptor   380 aa 306 aa 21.2 %
Echinococcus granulosus biogenic amine 5HT receptor Mu opioid receptor   98 aa 96 aa 30.2 %
Schistosoma mansoni biogenic amine receptor Mu opioid receptor   98 aa 98 aa 35.7 %
Schistosoma japonicum Octopamine receptor, putative Mu opioid receptor   98 aa 88 aa 37.5 %
Onchocerca volvulus Mu opioid receptor   98 aa 79 aa 21.5 %
Schistosoma mansoni rhodopsin-like orphan GPCR Mu opioid receptor   98 aa 85 aa 25.9 %
Schistosoma mansoni biogenic amine (5HT) receptor Mu opioid receptor   98 aa 97 aa 36.1 %
Schistosoma mansoni rhodopsin-like orphan GPCR Kappa opioid receptor   380 aa 379 aa 22.4 %
Echinococcus granulosus allatostatin A receptor Kappa opioid receptor   380 aa 317 aa 28.4 %
Echinococcus multilocularis g protein coupled receptor Mu opioid receptor   98 aa 92 aa 26.1 %
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor Mu opioid receptor   98 aa 100 aa 29.0 %
Onchocerca volvulus Mu opioid receptor   98 aa 80 aa 22.5 %
Schistosoma mansoni biogenic amine (dopamine) receptor Mu opioid receptor   98 aa 97 aa 35.1 %
Onchocerca volvulus 26S proteasome non-ATPase regulatory subunit 1 homolog Mu opioid receptor   98 aa 80 aa 28.8 %
Brugia malayi G protein-coupled receptor Mu opioid receptor   98 aa 90 aa 31.1 %
Schistosoma japonicum Probable G-protein coupled receptor No9, putative Mu opioid receptor   98 aa 95 aa 28.4 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Mu opioid receptor   98 aa 99 aa 36.4 %
Onchocerca volvulus Mu opioid receptor   98 aa 81 aa 25.9 %
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Mu opioid receptor   98 aa 97 aa 37.1 %
Onchocerca volvulus Mu opioid receptor   98 aa 100 aa 25.0 %
Schistosoma mansoni opsin-like receptor Mu opioid receptor   98 aa 80 aa 25.0 %
Loa Loa (eye worm) hypothetical protein Mu opioid receptor   98 aa 81 aa 35.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis cyclin D, putative 0.0604 0.0159 1
Loa Loa (eye worm) CYL-1 protein 0.0604 0.0159 0.0159
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0604 0.0159 0.0267
Echinococcus granulosus cyclins 0.0604 0.0159 0.0267
Trypanosoma cruzi mitotic cyclin, putative 0.0604 0.0159 0.0267
Echinococcus multilocularis cyclins 0.0604 0.0159 0.0267
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0416 0.0079 0.5
Chlamydia trachomatis DNA gyrase subunit B 0.0416 0.0079 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0604 0.0159 1
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0416 0.0079 0.5
Echinococcus multilocularis cyclin G2 0.0604 0.0159 0.0267
Loa Loa (eye worm) cyclin domain-containing protein 0.0604 0.0159 0.0159
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0604 0.0159 0.0267
Loa Loa (eye worm) hypothetical protein 0.0445 0.0091 0.0091
Leishmania major cyclin 9, putative 0.0604 0.0159 0.0267
Chlamydia trachomatis DNA gyrase subunit B 0.0416 0.0079 0.5
Loa Loa (eye worm) cyclin domain-containing protein 0.0604 0.0159 0.0159
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0416 0.0079 0.5
Echinococcus multilocularis cdk5 and abl1 enzyme substrate 1 0.0604 0.0159 0.0267
Giardia lamblia Hypothetical protein 0.0604 0.0159 1
Trichomonas vaginalis cyclin B3, putative 0.0604 0.0159 1
Echinococcus multilocularis cyclins 0.0604 0.0159 0.0267
Trypanosoma brucei mitotic cyclin 6 0.0604 0.0159 0.0267
Trypanosoma cruzi hypothetical protein, conserved 0.0604 0.0159 0.0267
Giardia lamblia G2/mitotic-specific cyclin B 0.0604 0.0159 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0604 0.0159 0.0267
Echinococcus granulosus cyclin t1 0.0604 0.0159 0.0267
Trypanosoma cruzi mitotic cyclin, putative 0.0604 0.0159 0.0267
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0416 0.0079 0.5
Echinococcus granulosus cyclin G2 0.0604 0.0159 0.0267
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0416 0.0079 0.5
Trypanosoma brucei cyclin dependent kinase-binding protein, putative 0.0604 0.0159 0.0267
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0416 0.0079 0.5
Echinococcus granulosus cyclin B 0.0604 0.0159 0.0267
Echinococcus multilocularis cyclin B3 1 0.0604 0.0159 0.0267
Loa Loa (eye worm) cyclin domain-containing protein 0.0604 0.0159 0.0159
Brugia malayi cyclin fold protein 1 variant b 0.0604 0.0159 0.0267
Toxoplasma gondii cyclin domain protein, cyclin H family protein 0.0604 0.0159 0.0721
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0604 0.0159 0.0267
Trichomonas vaginalis cyclins, putative 0.0604 0.0159 1
Toxoplasma gondii cyclin dependent kinase binding protein 0.0604 0.0159 0.0721
Echinococcus multilocularis cyclins 0.0604 0.0159 0.0267
Trichomonas vaginalis conserved hypothetical protein 0.0604 0.0159 1
Echinococcus granulosus cyclin B3 1 0.0604 0.0159 0.0267
Schistosoma mansoni cyclin B3 0.0604 0.0159 0.0267
Loa Loa (eye worm) cyclin domain-containing protein 0.0604 0.0159 0.0159
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.2614 0.1004 0.3113
Trichomonas vaginalis cyclins, putative 0.0604 0.0159 1
Plasmodium falciparum cyclin dependent kinase binding protein, putative 0.0604 0.0159 1
Schistosoma mansoni cyclin l 0.0604 0.0159 0.0267
Entamoeba histolytica cyclin, domain containing protein 0.0604 0.0159 1
Schistosoma mansoni hypothetical protein 0.0604 0.0159 0.0267
Plasmodium vivax cyclin homologue, putative 0.0604 0.0159 1
Entamoeba histolytica cyclin, putative 0.0604 0.0159 1
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.7476 0.3049 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0416 0.0079 0.5
Echinococcus granulosus Cyclin L1 0.0604 0.0159 0.0267
Echinococcus multilocularis cyclin y 0.0604 0.0159 0.0267
Echinococcus granulosus cyclin k 0.0604 0.0159 0.0267
Schistosoma mansoni cyclin G2 0.0604 0.0159 0.0267
Leishmania major cyclin 0.0604 0.0159 0.0267
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.0091 0.0041
Mycobacterium tuberculosis Probable two component sensor kinase 0.0416 0.0079 0.5
Loa Loa (eye worm) heat shock protein 90 0.0416 0.0079 0.0079
Schistosoma mansoni cyclins 0.0604 0.0159 0.0267
Trichomonas vaginalis cyclin B, putative 0.0604 0.0159 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.303 0.1179 1
Echinococcus granulosus cyclins 0.0604 0.0159 0.0267
Onchocerca volvulus 0.0604 0.0159 1
Echinococcus multilocularis cyclins 0.0604 0.0159 0.0267
Brugia malayi Cyclin, N-terminal domain containing protein 0.0604 0.0159 0.0267
Echinococcus multilocularis cyclin y 0.0604 0.0159 0.0267
Giardia lamblia Cyclin fold protein 1, putative 0.0604 0.0159 1
Schistosoma mansoni cyclin k 0.0604 0.0159 0.0267
Entamoeba histolytica cyclin C, putative 0.0604 0.0159 1
Echinococcus granulosus cyclins 0.0604 0.0159 0.0267
Schistosoma mansoni pyruvate dehydrogenase 0.706 0.2875 0.9411
Mycobacterium leprae Probable two-component sensor kinase 0.0416 0.0079 0.5
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.7476 0.3049 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0604 0.0159 0.0267
Schistosoma mansoni cyclin G 0.0604 0.0159 0.0267
Leishmania major mitotic cyclin, putative 0.0604 0.0159 0.0267
Echinococcus granulosus cdk5 and abl1 enzyme substrate 1 0.0604 0.0159 0.0267
Leishmania major mitotic cyclin, putative 0.0604 0.0159 0.0267
Schistosoma mansoni Cyclin fold protein 0.0604 0.0159 0.0267
Trichomonas vaginalis cyclin B, putative 0.0604 0.0159 1
Trichomonas vaginalis conserved hypothetical protein 0.0604 0.0159 1
Schistosoma mansoni g1/s-specific cyclin C 0.0604 0.0159 0.0267
Trichomonas vaginalis cyclin B, putative 0.0604 0.0159 1
Mycobacterium leprae Probable two component sensor kinase MprB 0.0416 0.0079 0.5
Trichomonas vaginalis cyclins, putative 0.0604 0.0159 1
Echinococcus granulosus tm gpcr rhodopsin 0.0634 0.0171 0.0308
Brugia malayi Cyclin, N-terminal domain containing protein 0.0604 0.0159 0.0267
Trichomonas vaginalis cyclin B, putative 0.0604 0.0159 1
Mycobacterium ulcerans two component sensor kinase MprB 0.0416 0.0079 0.5
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.0091 0.0041
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0604 0.0159 0.0267
Onchocerca volvulus 0.0604 0.0159 1
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0416 0.0079 0.5
Echinococcus granulosus cyclin b3 0.0604 0.0159 0.0267
Mycobacterium ulcerans two component regulator - sensor kinase 0.0416 0.0079 0.5
Entamoeba histolytica cyclin, domain containing protein 0.0604 0.0159 1
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0416 0.0079 0.5
Loa Loa (eye worm) hypothetical protein 0.0604 0.0159 0.0159
Plasmodium falciparum cyclin 0.0604 0.0159 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.7476 0.3049 1
Schistosoma mansoni hypothetical protein 0.0604 0.0159 0.0267
Echinococcus granulosus cyclin G2 0.0604 0.0159 0.0267
Echinococcus multilocularis cyclin G2 0.0604 0.0159 0.0267
Loa Loa (eye worm) cyclin C 0.0604 0.0159 0.0159
Mycobacterium tuberculosis Conserved protein 0.0416 0.0079 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0604 0.0159 0.0267
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.2614 0.1004 0.8409
Trichomonas vaginalis cyclin D, putative 0.0604 0.0159 1
Echinococcus multilocularis Cyclin L1 0.0604 0.0159 0.0267
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0416 0.0079 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0604 0.0159 1
Echinococcus multilocularis cyclins 0.0604 0.0159 0.0267
Trichomonas vaginalis cyclin A, putative 0.0604 0.0159 1
Echinococcus granulosus G1:S specific cyclin D1 0.0604 0.0159 0.0267
Entamoeba histolytica cyclin, putative 0.0604 0.0159 1
Trichomonas vaginalis cyclin B3, putative 0.0604 0.0159 1
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.2614 0.1004 0.3113
Loa Loa (eye worm) hypothetical protein 0.0416 0.0079 0.0079
Loa Loa (eye worm) cyclin fold protein 1 variant b 0.0604 0.0159 0.0159
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0416 0.0079 0.5
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0416 0.0079 0.5
Loa Loa (eye worm) hypothetical protein 0.0604 0.0159 0.0159
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0416 0.0079 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0604 0.0159 1
Echinococcus granulosus cyclin 0.0604 0.0159 0.0267
Toxoplasma gondii cyclin 4, putative 0.0604 0.0159 0.0721
Trypanosoma brucei cyclin 9 0.0604 0.0159 0.0267
Onchocerca volvulus Cyclin L homolog 0.0604 0.0159 1
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0604 0.0159 0.0267
Loa Loa (eye worm) endoplasmin 0.0416 0.0079 0.0079
Echinococcus granulosus cyclin A3 4 0.0604 0.0159 0.0267
Echinococcus multilocularis cyclins 0.0604 0.0159 0.0267
Echinococcus multilocularis cyclin k 0.0604 0.0159 0.0267
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0416 0.0079 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0604 0.0159 0.0267
Toxoplasma gondii hypothetical protein 0.0604 0.0159 0.0721
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.0091 0.0041
Trichomonas vaginalis cyclin D, putative 0.0604 0.0159 1
Brugia malayi kinase, mitochondrial precursor 0.7476 0.3049 1
Trichomonas vaginalis cyclin B, putative 0.0604 0.0159 1
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0416 0.0079 0.5
Trypanosoma brucei mitotic cyclin 0.0604 0.0159 0.0267
Brugia malayi Cyclin, N-terminal domain containing protein 0.0604 0.0159 0.0267
Schistosoma mansoni cyclin B 0.0604 0.0159 0.0267
Loa Loa (eye worm) hypothetical protein 0.0604 0.0159 0.0159
Plasmodium falciparum cyclin 1 0.0604 0.0159 1
Trichomonas vaginalis cyclin A, putative 0.0604 0.0159 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0604 0.0159 0.0159
Trypanosoma cruzi cyclin, putative 0.0604 0.0159 0.0267
Trypanosoma cruzi cyclin 9, putative 0.0604 0.0159 0.0267
Brugia malayi Cyclin, N-terminal domain containing protein 0.0604 0.0159 0.0267
Brugia malayi Cyclin, N-terminal domain containing protein 0.0604 0.0159 0.0267
Brugia malayi Cyclin, N-terminal domain containing protein 0.0604 0.0159 0.0267
Trichomonas vaginalis cyclins, putative 0.0604 0.0159 1
Schistosoma mansoni cyclin d 0.0604 0.0159 0.0267
Brugia malayi hypothetical protein 0.0604 0.0159 0.0267
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0416 0.0079 0.5
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0416 0.0079 0.5
Echinococcus multilocularis cyclin B 0.0604 0.0159 0.0267
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0416 0.0079 0.5
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0416 0.0079 0.5
Echinococcus multilocularis cyclins 0.0604 0.0159 0.0267
Plasmodium vivax cyclin 4, putative 0.0604 0.0159 1
Giardia lamblia Cyclin A 0.0604 0.0159 1
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0416 0.0079 0.5
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.7476 0.3049 1
Trichomonas vaginalis cyclins, putative 0.0604 0.0159 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0604 0.0159 0.0267
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0416 0.0079 0.5
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0416 0.0079 0.5
Echinococcus multilocularis cyclin t1 0.0604 0.0159 0.0267
Echinococcus granulosus cyclin y 0.0604 0.0159 0.0267
Loa Loa (eye worm) cyclin domain-containing protein 0.0604 0.0159 0.0159
Echinococcus granulosus cyclin y 0.0604 0.0159 0.0267
Mycobacterium ulcerans putative regultory protein 0.0416 0.0079 0.5
Trypanosoma cruzi cyclin, putative 0.0604 0.0159 0.0267
Loa Loa (eye worm) cyclin domain-containing protein 0.0604 0.0159 0.0159
Trichomonas vaginalis conserved hypothetical protein 0.0604 0.0159 1
Schistosoma mansoni pyruvate dehydrogenase 0.7476 0.3049 1
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.2614 0.1004 0.3113
Echinococcus multilocularis cyclin b3 0.0604 0.0159 0.0267
Entamoeba histolytica cyclin family protein 0.0604 0.0159 1
Onchocerca volvulus Protein CNPPD1 homolog 0.0604 0.0159 1
Giardia lamblia Cyclin B-like protein 0.0604 0.0159 1
Loa Loa (eye worm) TOPoisomerase family member 0.0416 0.0079 0.0079
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0416 0.0079 0.5
Echinococcus multilocularis cyclin A3 4 0.0604 0.0159 0.0267
Trichomonas vaginalis cyclin B3, putative 0.0604 0.0159 1
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0416 0.0079 0.5
Trypanosoma cruzi cyclin 6, putative 0.0604 0.0159 0.0267
Brugia malayi Cyclin C 0.0604 0.0159 0.0267
Entamoeba histolytica hypothetical protein 0.0604 0.0159 1
Trichomonas vaginalis cyclin B, putative 0.0604 0.0159 1
Brugia malayi hypothetical protein 0.0604 0.0159 0.0267
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.0091 0.0041
Echinococcus multilocularis cyclin 0.0604 0.0159 0.0267
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0634 0.0171 0.0308
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.7476 0.3049 1
Loa Loa (eye worm) hypothetical protein 0.7476 0.3049 0.3049
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0416 0.0079 0.5
Trypanosoma brucei developmentally regulated phosphoprotein 0.7476 0.3049 1
Echinococcus multilocularis G1:S specific cyclin D1 0.0604 0.0159 0.0267
Trypanosoma brucei cyclin 3 0.0604 0.0159 0.0267
Brugia malayi Cyclin, N-terminal domain containing protein 0.0604 0.0159 0.0267
Entamoeba histolytica cyclin family protein 0.0604 0.0159 1
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0416 0.0079 0.5
Echinococcus granulosus cyclins 0.0604 0.0159 0.0267
Schistosoma mansoni pyruvate dehydrogenase 0.706 0.2875 0.9411
Mycobacterium ulcerans DNA gyrase subunit B 0.0416 0.0079 0.5
Giardia lamblia Hypothetical protein 0.0604 0.0159 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0416 0.0079 0.5
Trichomonas vaginalis cyclins, putative 0.0604 0.0159 1
Trichomonas vaginalis cyclins, putative 0.0604 0.0159 1
Trichomonas vaginalis cyclin B, putative 0.0604 0.0159 1
Plasmodium vivax hypothetical protein, conserved 0.0604 0.0159 1
Echinococcus granulosus cyclins 0.0604 0.0159 0.0267
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0604 0.0159 0.0721
Giardia lamblia Hypothetical protein 0.0604 0.0159 1
Trichomonas vaginalis cyclins, putative 0.0604 0.0159 1
Onchocerca volvulus Cyclin L homolog 0.0604 0.0159 1
Echinococcus granulosus cyclins 0.0604 0.0159 0.0267
Mycobacterium tuberculosis Possible two component sensor kinase 0.0416 0.0079 0.5
Plasmodium vivax cyclin dependent kinase binding protein, putative 0.0604 0.0159 1
Loa Loa (eye worm) hypothetical protein 0.0416 0.0079 0.0079

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.37 mg kg-1 In vivo analgesic activity was measured by using Antiphenyl quinone Writhing(PQW) test after subcutaneous administration ChEMBL. 7932535
ED50 (functional) = 0.37 mg kg-1 In vivo analgesic activity was measured by using Antiphenyl quinone Writhing(PQW) test after subcutaneous administration ChEMBL. 7932535
ED50 (functional) = 0.55 mg kg-1 Narcotic antagonism was measured by using Anti-Straub tail (AST) test after subcutaneous administration ChEMBL. 7932535
ED50 (functional) = 0.55 mg kg-1 Narcotic antagonism was measured by using Anti-Straub tail (AST) test after subcutaneous administration ChEMBL. 7932535
IC50 (functional) = 2.8 nM Opioid agonistic activity was measured by using Guinea pig ileum bioassay ChEMBL. 7932535
Ke (functional) = 14.1 nM Ke value of the compound was measured as concentration of antagonist/ (IC50 ratio - 1) ChEMBL. 7932535
Ki (binding) = 1.4 nM In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM) ChEMBL. 7932535
Ki (binding) = 1.4 nM In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM) ChEMBL. 7932535
Ki (binding) = 4.9 nM In vivo binding affinity against kappa opioid receptor was measured by using labeled ligand [3H]-ethylketocyclazocine (1 nM) with 500 nM DADLE and 20 nM sufentanil ChEMBL. 7932535
Ki (binding) = 4.9 nM In vivo binding affinity against kappa opioid receptor was measured by using labeled ligand [3H]-ethylketocyclazocine (1 nM) with 500 nM DADLE and 20 nM sufentanil ChEMBL. 7932535
Ki (binding) = 15 nM In vivo binding affinity against delta Opioid receptor was measured by using labeled ligand [3H]-DADLE (1 nM) with 4 nM sufentanil ChEMBL. 7932535
Ki (binding) = 15 nM In vivo binding affinity against delta Opioid receptor was measured by using labeled ligand [3H]-DADLE (1 nM) with 4 nM sufentanil ChEMBL. 7932535
Ki (binding) = 580 nM In vivo binding affinity against sigma Opioid receptor was measured by using labeled ligand [3H]-SKF- 10,047 (1 nM) ChEMBL. 7932535
Ki (binding) = 580 nM In vivo binding affinity against sigma Opioid receptor was measured by using labeled ligand [3H]-SKF- 10,047 (1 nM) ChEMBL. 7932535
Ratio (functional) = 8.1 Ratio between IC50 of the agonist in presence of naloxone and IC50 of the control ChEMBL. 7932535

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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