Detailed information for compound 520063

Basic information

Technical information
  • TDR Targets ID: 520063
  • Name: 1-[(1R,2R)-2-methoxy-2-(3-methoxyphenyl)cyclo hexyl]-N,N-dimethylmethanamine
  • MW: 277.402 | Formula: C17H27NO2
  • H donors: 0 H acceptors: 0 LogP: 3.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(c1)OC
  • InChi: 1S/C17H27NO2/c1-18(2)13-15-8-5-6-11-17(15,20-4)14-9-7-10-16(12-14)19-3/h7,9-10,12,15H,5-6,8,11,13H2,1-4H3/t15-,17+/m1/s1
  • InChiKey: VWXSFQRIRPPNDO-WBVHZDCISA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(1R,2R)-2-methoxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethyl-methanamine
  • [(1R,2R)-2-methoxy-2-(3-methoxyphenyl)cyclohexyl]methyl-dimethyl-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opioid receptor, mu 1 Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 2 Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Treponema pallidum sodium- and chloride- dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) serotonin transporter b Get druggable targets OG5_128364 All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 2 617 aa 638 aa 32.5 %
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 4 630 aa 574 aa 31.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus g protein coupled receptor 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0019 0.0077 0.0177
Echinococcus granulosus serotonin receptor 0.0021 0.0093 0.0093
Echinococcus granulosus glycogen phosphorylase 0.0671 0.4369 0.4369
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0021 0.0093 0.0213
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Toxoplasma gondii hypothetical protein 0.0031 0.0159 0.6163
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0077 0.0077
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0013 0.0043 0.0043
Echinococcus granulosus biogenic amine 5HT receptor 0.0021 0.0093 0.0093
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.0093 0.0213
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0182 0.1156 0.2646
Echinococcus granulosus g protein coupled receptor 0.0021 0.0093 0.0093
Brugia malayi hypothetical protein 0.0019 0.0077 0.0177
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.0093 0.0213
Brugia malayi GnHR receptor homolog 0.0021 0.0093 0.0213
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0021 0.0093 0.0093
Schistosoma mansoni neuropeptide F-like receptor 0.0021 0.0093 0.0213
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0077 0.0177
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0021 0.0093 0.0213
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0077 0.0077
Echinococcus multilocularis somatostatin receptor 0.0021 0.0093 0.0093
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0182 0.1156 0.2646
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0.0093 0.0093
Plasmodium vivax amine transporter, putative 0.0031 0.0159 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0077 0.0177
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0077 0.0177
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.0159 0.0363
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0159 0.0363
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0077 0.0077
Brugia malayi hypothetical protein 0.0021 0.0093 0.0213
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.0093 0.0213
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0021 0.0093 0.0093
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0021 0.0093 0.0213
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0021 0.0093 0.0213
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0077 0.0177
Echinococcus multilocularis geminin 0.0152 0.0958 0.0958
Brugia malayi putative neuropeptide receptor NPR1 0.0021 0.0093 0.0213
Schistosoma mansoni biogenic amine receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Brugia malayi hypothetical protein 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0013 0.0043 0.0098
Loa Loa (eye worm) latrophilin receptor protein 2 0.0013 0.0043 0.0098
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0077 0.0077
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0031 0.016 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0031 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Brugia malayi CXXC zinc finger family protein 0.0024 0.0115 0.0262
Echinococcus granulosus G protein coupled receptor 139 0.0021 0.0093 0.0093
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Echinococcus granulosus Glycosyl transferase family 35 0.0671 0.4369 0.4369
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0031 0.016 1
Echinococcus multilocularis neuropeptide Y receptor 0.0021 0.0093 0.0093
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Echinococcus multilocularis serotonin receptor 0.0021 0.0093 0.0093
Brugia malayi follicle stimulating hormone receptor 0.0021 0.0093 0.0213
Echinococcus granulosus neuropeptide Y receptor 0.0021 0.0093 0.0093
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0013 0.0043 0.0043
Schistosoma mansoni amine GPCR 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis allatostatin A receptor 0.0021 0.0093 0.0093
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0077 0.0177
Loa Loa (eye worm) hypothetical protein 0.0019 0.0077 0.0177
Echinococcus multilocularis neuropeptides capa receptor 0.0021 0.0093 0.0093
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Brugia malayi PXA domain containing protein 0.0019 0.0077 0.0177
Echinococcus multilocularis dro:myosuppressin receptor 0.0021 0.0093 0.0093
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0031 0.0159 0.0363
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0077 0.0077
Schistosoma mansoni histamine h1 receptor 0.0021 0.0093 0.0213
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.0159 0.0363
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0077 0.0177
Echinococcus granulosus g protein coupled receptor 0.0021 0.0093 0.0093
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.0213
Onchocerca volvulus 0.0182 0.1156 0.2486
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0031 0.0159 0.0363
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0051 0.0294 0.0672
Schistosoma mansoni glycogen phosphorylase 0.0671 0.4369 1
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0031 0.0159 0.0363
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0077 0.0177
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0028 0.0139 1
Schistosoma mansoni biogenic amine receptor 0.0021 0.0093 0.0213
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis dnaJ subfamily B 0.0346 0.2231 0.2231
Schistosoma mansoni opsin-like receptor 0.0021 0.0093 0.0213
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0004 0.0004
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0021 0.0093 0.0093
Echinococcus granulosus sex peptide receptor 0.0021 0.0093 0.0093
Echinococcus granulosus expressed protein 0.0362 0.2336 0.2336
Echinococcus granulosus neuropeptides capa receptor 0.0021 0.0093 0.0093
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0021 0.0093 0.0093
Brugia malayi Serotonin receptor 0.0021 0.0093 0.0213
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0077 0.0077
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0077 0.0177
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0013 0.0043 0.0043
Brugia malayi G-protein coupled receptor 0.0021 0.0093 0.0213
Giardia lamblia Glycogen phosphorylase 0.0671 0.4369 0.5
Loa Loa (eye worm) histone methyltransferase 0.0008 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Onchocerca volvulus Glycogen phosphorylase homolog 0.0671 0.4369 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0021 0.0093 0.0213
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0077 0.0177
Echinococcus granulosus neuropeptide receptor A26 0.041 0.2653 0.2653
Echinococcus multilocularis sodium and chloride dependent glycine 0.0031 0.0159 0.0159
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0077 0.0177
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0.0093 0.0093
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0021 0.0093 0.0213
Loa Loa (eye worm) norepinephrine transporter 0.0182 0.1156 0.2646
Schistosoma mansoni hypothetical protein 0.0346 0.2231 0.5106
Plasmodium falciparum transporter, putative 0.0031 0.0159 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0182 0.1156 0.2646
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0031 0.0159 0.0159
Brugia malayi Serotonin receptor 0.0021 0.0093 0.0213
Schistosoma mansoni adenoreceptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0029 0.0144 0.0331
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Entamoeba histolytica glycogen phosphorylase, putative 0.0671 0.4369 1
Echinococcus multilocularis expressed protein 0.0362 0.2336 0.2336
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Loa Loa (eye worm) neuropeptide F receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Brugia malayi hypothetical protein 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0004 0.0004
Brugia malayi ORL1-like opioid receptor 0.0021 0.0093 0.0213
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0031 0.0159 0.0363
Brugia malayi hypothetical protein 0.0031 0.0159 0.0363
Echinococcus multilocularis serotonin transporter 0.0182 0.1156 0.1156
Schistosoma mansoni biogenic amine (5HT) receptor 0.0021 0.0093 0.0213
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0021 0.0093 0.0213
Echinococcus multilocularis neuropeptide FF receptor 2 0.0021 0.0093 0.0093
Brugia malayi hypothetical protein 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Schistosoma mansoni hypothetical protein 0.0013 0.0043 0.0098
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0031 0.016 0.0194
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Loa Loa (eye worm) G-protein coupled receptor 0.0021 0.0093 0.0213
Echinococcus granulosus somatostatin receptor 0.0021 0.0093 0.0093
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0031 0.016 0.0194
Schistosoma mansoni neuropeptide receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0182 0.1156 0.2646
Onchocerca volvulus 0.0031 0.0159 0.0153
Echinococcus granulosus dro:myosuppressin receptor 0.0021 0.0093 0.0093
Brugia malayi larval opioid receptor 0.0021 0.0093 0.0213
Schistosoma mansoni inositol monophosphatase 0.0031 0.016 0.0367
Echinococcus multilocularis neuropeptides capa receptor 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus allatostatin A receptor 0.0021 0.0093 0.0093
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0031 0.016 0.6225
Echinococcus multilocularis fmrfamide receptor 0.0021 0.0093 0.0093
Echinococcus granulosus cpg binding protein 0.0026 0.0124 0.0124
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0077 0.0177
Echinococcus granulosus neuropeptides capa receptor 0.0021 0.0093 0.0093
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0013 0.0043 0.0098
Brugia malayi G protein-coupled receptor 0.0021 0.0093 0.0213
Brugia malayi latrophilin 2 splice variant baaae 0.0029 0.0144 0.0331
Echinococcus granulosus dnaJ subfamily B 0.0346 0.2231 0.2231
Brugia malayi Dopamine receptor 0.0021 0.0093 0.0213
Echinococcus multilocularis neuropeptide Y receptor 0.0021 0.0093 0.0093
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0021 0.0093 0.0093
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0077 0.0077
Brugia malayi hypothetical protein 0.0021 0.0093 0.0213
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.0093 0.0213
Echinococcus multilocularis g protein coupled receptor 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0019 0.0077 0.0177
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.029 0.1863 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0021 0.0093 0.0093
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0077 0.0077
Schistosoma mansoni myosin xvIII 0.0021 0.0093 0.0213
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.029 0.1863 1
Echinococcus multilocularis inositol monophosphatase 1 0.0031 0.016 0.016
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0013 0.0043 0.0043
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.0159 0.0363
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.0213
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0077 0.0177
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis orexin receptor type 2 0.0021 0.0093 0.0093
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0021 0.0093 0.0213
Schistosoma mansoni sodium-dependent amino acid transporter 0.0031 0.0159 0.0363
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0031 0.016 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Brugia malayi neuropeptide F receptor 0.0021 0.0093 0.0213
Toxoplasma gondii histone lysine methyltransferase SET1 0.0046 0.0258 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0671 0.4369 0.4369
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0077 0.0077
Echinococcus multilocularis serotonin receptor 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus fmrfamide receptor 0.0021 0.0093 0.0093
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0077 0.0177
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0021 0.0093 0.0213
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0021 0.0093 0.0213
Echinococcus granulosus g-protein coupled receptor 0.0021 0.0093 0.0093
Brugia malayi AKH receptor 0.0021 0.0093 0.0213
Brugia malayi Dopamine receptor protein 1 0.0021 0.0093 0.0213
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0077 0.0177
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.0159 0.6163
Schistosoma mansoni glycogen phosphorylase 0.0671 0.4369 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis fmrfamide receptor 0.0021 0.0093 0.0093
Echinococcus granulosus glycogen phosphorylase 0.0671 0.4369 0.4369
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis g-protein coupled receptor 0.0021 0.0093 0.0093
Echinococcus granulosus 7TM GPCR rhodopsin 0.0021 0.0093 0.0093
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.0093 0.0213
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0077 0.0077
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0031 0.0159 0.0363
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0031 0.0159 0.0363
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0077 0.0177
Loa Loa (eye worm) melatonin receptor type 1A 0.0021 0.0093 0.0213
Schistosoma mansoni amine GPCR 0.0021 0.0093 0.0213
Echinococcus multilocularis neuropeptide s receptor 0.041 0.2653 0.2653
Brugia malayi Tachykinin-like peptides receptor 99D 0.0021 0.0093 0.0213
Echinococcus granulosus tachykinin peptides receptor 99D 0.0021 0.0093 0.0093
Onchocerca volvulus 0.0031 0.0159 0.0153
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0021 0.0093 0.0213
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0021 0.0093 0.0213
Trichomonas vaginalis glycogen phosphorylase, putative 0.0671 0.4369 1
Echinococcus multilocularis g protein coupled receptor 0.0021 0.0093 0.0093
Onchocerca volvulus 0.0024 0.0115 0.005
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0031 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis G protein coupled receptor 139 0.0021 0.0093 0.0093
Echinococcus granulosus orexin receptor type 2 0.0021 0.0093 0.0093
Brugia malayi F/Y-rich N-terminus family protein 0.0007 0.0004 0.0008
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0159 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0021 0.0093 0.0093
Entamoeba histolytica glycogenphosphorylase, putative 0.029 0.1863 0.4162
Echinococcus multilocularis g protein coupled receptor 0.0021 0.0093 0.0093
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0077 0.0077
Brugia malayi hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus hypothetical protein 0.0021 0.0093 0.0093
Trichomonas vaginalis glycogen phosphorylase, putative 0.0671 0.4369 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0021 0.0093 0.0093
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0077 0.0177
Brugia malayi Inositol-1 0.0031 0.016 0.0367
Echinococcus granulosus inositol monophosphatase 1 0.0031 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0042 0.0232 0.0531
Echinococcus granulosus peptide allatostatin:somatostatin 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis glycogen phosphorylase 0.0671 0.4369 0.4369
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus GPCR family 2 0.0013 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0077 0.0077
Schistosoma mansoni neuropeptide F-like receptor 0.0021 0.0093 0.0213
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0021 0.0093 0.0093
Echinococcus granulosus alpha 1A adrenergic receptor 0.0021 0.0093 0.0093
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0031 0.016 0.0861
Brugia malayi Melatonin receptor type 1A 0.0021 0.0093 0.0213
Schistosoma mansoni hypothetical protein 0.0152 0.0958 0.2192
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0019 0.0077 0.0177
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0031 0.016 0.0194
Trichomonas vaginalis inositol monophosphatase, putative 0.0031 0.016 0.0194
Schistosoma mansoni neuropeptide f receptor 76f 0.0021 0.0093 0.0213
Schistosoma mansoni amine GPCR 0.0021 0.0093 0.0213
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0021 0.0093 0.0093
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.0159 0.0363
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus biogenic amine 5HT receptor 0.0021 0.0093 0.0093
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0077 0.0077
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0159 0.0363
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0077 0.0177
Brugia malayi G-protein coupled receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0031 0.0159 0.0363
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Brugia malayi Latrophilin receptor protein 2 0.0013 0.0043 0.0098
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0077 0.0177
Onchocerca volvulus 0.0031 0.0159 0.0153
Brugia malayi sulfakinin receptor protein 0.0021 0.0093 0.0213
Loa Loa (eye worm) CXXC zinc finger family protein 0.0024 0.0115 0.0262
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Schistosoma mansoni opsin-like receptor 0.0021 0.0093 0.0213
Echinococcus granulosus geminin 0.0152 0.0958 0.0958
Loa Loa (eye worm) G-protein coupled receptor 0.0021 0.0093 0.0213
Echinococcus granulosus sodium and chloride dependent glycine 0.0031 0.0159 0.0159
Echinococcus multilocularis neuropeptide receptor A26 0.041 0.2653 0.2653
Brugia malayi RE15519p 0.0021 0.0093 0.0213
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0021 0.0093 0.0093
Schistosoma mansoni sodium/chloride dependent transporter 0.0031 0.0159 0.0363
Chlamydia trachomatis glycogen phosphorylase 0.0671 0.4369 1
Schistosoma mansoni hypothetical protein 0.0013 0.0043 0.0098
Brugia malayi carbohydrate phosphorylase 0.0671 0.4369 1
Schistosoma mansoni neuropeptide receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0019 0.0077 0.0177
Loa Loa (eye worm) serotonin transporter b 0.0182 0.1156 0.2646
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0182 0.1156 0.2646
Brugia malayi neuropeptide F receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0031 0.0159 0.0159
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0031 0.0159 0.0363
Schistosoma mansoni hypothetical protein 0.0013 0.0043 0.0098
Schistosoma mansoni hypothetical protein 0.0152 0.0958 0.2192
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Plasmodium falciparum amino acid transporter, putative 0.0031 0.0159 0.5
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0031 0.0159 0.0159
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0021 0.0093 0.0093
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.0093 0.0213
Echinococcus granulosus neuropeptide receptor 0.0021 0.0093 0.0093
Brugia malayi hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0021 0.0093 0.0093
Schistosoma mansoni neuropeptide receptor 0.0021 0.0093 0.0213
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0031 0.016 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis glycogen phosphorylase 0.0671 0.4369 0.4369
Schistosoma mansoni sodium/chloride dependent transporter 0.0031 0.0159 0.0363
Schistosoma mansoni cpg binding protein 0.0026 0.0124 0.0283
Brugia malayi hypothetical protein 0.0019 0.0077 0.0177
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0021 0.0093 0.0213
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Schistosoma mansoni alpha-1 adrenergic receptor 0.0021 0.0093 0.0213
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.0093 0.0213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis neuropeptide receptor 0.0021 0.0093 0.0093
Brugia malayi PXA domain containing protein 0.0019 0.0077 0.0177
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Schistosoma mansoni cpg binding protein 0.0026 0.0124 0.0283
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0077 0.0077
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0077 0.0177
Brugia malayi G protein-coupled receptor F59B2.13 0.0021 0.0093 0.0213
Schistosoma mansoni hypothetical protein 0.0013 0.0043 0.0098
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0021 0.0093 0.0213
Brugia malayi hypothetical protein 0.0021 0.0093 0.0213
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0077 0.0177
Entamoeba histolytica glycogen phosphorylase, putative 0.0671 0.4369 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.0159 0.0363
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1526 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.0159 0.0363
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0077 0.0177
Echinococcus multilocularis G-protein coupled receptor, putative 0.0021 0.0093 0.0093
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0031 0.0159 0.0159
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0042 0.0232 0.0531
Echinococcus multilocularis GPCR, family 2 0.0013 0.0043 0.0043
Loa Loa (eye worm) neuropeptide F receptor 0.0021 0.0093 0.0213
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0021 0.0093 0.0093
Entamoeba histolytica glycogen phosphorylase, putative 0.029 0.1863 0.4162
Brugia malayi Dopamine receptor protein 2 0.0021 0.0093 0.0213
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0077 0.0177
Echinococcus multilocularis cpg binding protein 0.0026 0.0124 0.0124
Echinococcus granulosus neuropeptide s receptor 0.041 0.2653 0.2653
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0.0093 0.0093
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0021 0.0093 0.0213
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0031 0.0159 0.0363
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.0159 0.6163
Echinococcus granulosus serotonin transporter 0.0182 0.1156 0.1156
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus sodium and chloride dependent glycine 0.0031 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.0159 0.6163
Loa Loa (eye worm) hypothetical protein 0.0031 0.0159 0.0363
Loa Loa (eye worm) hypothetical protein 0.0031 0.0159 0.0363
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0182 0.1156 0.2646
Brugia malayi Calcitonin receptor-like protein seb-1 0.0042 0.0232 0.0531
Treponema pallidum sodium- and chloride- dependent transporter 0.0182 0.1156 0.5
Schistosoma mansoni neuropeptide receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) TYRA-2 protein 0.0021 0.0093 0.0213
Schistosoma mansoni opsin-like receptor 0.0021 0.0093 0.0213
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0021 0.0093 0.0213
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0031 0.0159 0.0159
Brugia malayi hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus neuropeptide Y receptor 0.0021 0.0093 0.0093
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0021 0.0093 0.0213
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0021 0.0093 0.0213
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0021 0.0093 0.0213
Brugia malayi hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis neuropeptide receptor 0.0021 0.0093 0.0093
Schistosoma mansoni glycogen phosphorylase 0.029 0.1863 0.4265
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0077 0.0177
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0021 0.0093 0.0213
Schistosoma mansoni hypothetical protein 0.0029 0.0144 0.0331
Schistosoma mansoni inositol monophosphatase 0.0031 0.016 0.0367
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0077 0.0177
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus granulosus neuropeptide receptor 0.0021 0.0093 0.0093
Toxoplasma gondii hypothetical protein 0.0031 0.0159 0.6163
Schistosoma mansoni biogenic amine receptor 0.0021 0.0093 0.0213
Schistosoma mansoni amine GPCR 0.0021 0.0093 0.0213
Loa Loa (eye worm) inositol-1 0.0031 0.016 0.0367
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0021 0.0093 0.0093
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0031 0.0159 0.0363
Echinococcus multilocularis sodium and chloride dependent glycine 0.0031 0.0159 0.0159
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0042 0.0232 0.0531
Entamoeba histolytica glycogen phosphorylase, putative 0.029 0.1863 0.4162
Loa Loa (eye worm) glycogen phosphorylase 0.0671 0.4369 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0021 0.0093 0.0213
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0077 0.0177
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Brugia malayi putative neuropeptide receptor 0.0021 0.0093 0.0213
Schistosoma mansoni cpg binding protein 0.0024 0.0115 0.0262
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0028 0.0139 0.0745
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0077 0.0177
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.0093 0.0213
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0093 0.0093
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0031 0.016 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0182 0.1156 0.2646
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0077 0.0077
Schistosoma mansoni biogenic amine (5HT) receptor 0.0021 0.0093 0.0213
Echinococcus multilocularis sex peptide receptor 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0159 0.0363
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0213
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0021 0.0093 0.0093
Schistosoma mansoni amine GPCR 0.0021 0.0093 0.0213

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.7 mg kg-1 Analgesic activity in iv dosed Sprague-Dawley rat by tail-flick model of pain ChEMBL. 18242987
F (ADMET) = 11 % Bioavailability in iv dosed Sprague-Dawley rat ChEMBL. 18242987
IC50 (binding) = 161 nM Inhibition of NET (unknown origin) mediated norepinephrine uptake ChEMBL. 18242987
IC50 (binding) = 161 nM Inhibition of NET (unknown origin) mediated norepinephrine uptake ChEMBL. 18242987
IC50 (binding) = 927 nM Inhibition of SERT (unknown origin) mediated 5-hydroxytryptamine uptake ChEMBL. 18242987
IC50 (binding) = 927 nM Inhibition of SERT (unknown origin) mediated 5-hydroxytryptamine uptake ChEMBL. 18242987
IC50 (binding) = 7870 nM Binding affinity to mu opioid receptor (unknown origin) ChEMBL. 18242987
IC50 (binding) = 7870 nM Binding affinity to mu opioid receptor (unknown origin) ChEMBL. 18242987
Stability (ADMET) = 85 % Stability in human liver S9 fraction after 60 mins ChEMBL. 18242987
Stabilty (ADMET) = 12 % Stability in rat liver S9 fraction after 60 mins ChEMBL. 18242987
Stabilty (ADMET) = 17 % Stability in rat liver microsome after 60 mins ChEMBL. 18242987
Stabilty (ADMET) = 82 % Stability in human liver microsome after 60 mins ChEMBL. 18242987
Stabilty (ADMET) = 85 % Stability in human liver S9 fraction after 60 mins ChEMBL. 18242987
Time (functional) = 20 min Analgesic activity in iv dosed Sprague-Dawley rat assessed as duration of effect by tail-flick model of pain ChEMBL. 18242987

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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