Detailed information for compound 277041

Basic information

Technical information
  • TDR Targets ID: 277041
  • Name: 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylme thyl)piperazine
  • MW: 436.588 | Formula: C30H32N2O
  • H donors: 0 H acceptors: 0 LogP: 5.86 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)C(c1ccccc1)OCCN1CCN(CC1)Cc1cccc2c1cccc2
  • InChi: 1S/C30H32N2O/c1-3-11-26(12-4-1)30(27-13-5-2-6-14-27)33-23-22-31-18-20-32(21-19-31)24-28-16-9-15-25-10-7-8-17-29(25)28/h1-17,30H,18-24H2
  • InChiKey: RUFMMZIUYCHXNZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2-benzhydryloxyethyl)-4-(1-naphthylmethyl)piperazine
  • 1-(2-benzhydryloxyethyl)-4-(1-naphthalenylmethyl)piperazine
  • 1-[2-[di(phenyl)methoxy]ethyl]-4-(naphthalen-1-ylmethyl)piperazine
  • 1-[2-[di(phenyl)methoxy]ethyl]-4-(1-naphthylmethyl)piperazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References
Rattus norvegicus Dopamine transporter Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum sodium- and chloride- dependent 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
Echinococcus granulosus serotonin 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
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 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
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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
Loa Loa (eye worm) hypothetical protein 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
Loa Loa (eye worm) norepinephrine transporter 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
Schistosoma japonicum Sodium-dependent dopamine transporter, putative 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
Schistosoma japonicum Sodium-dependent noradrenaline 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 dopamine transporter, putative 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
Onchocerca volvulus Serotonin transporter   630 aa 611 aa 26.4 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 605 aa 37.7 %
Brugia malayi Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 30.9 %
Onchocerca volvulus Transmembrane protein 120 homolog Serotonin transporter   630 aa 571 aa 31.2 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Serotonin transporter   630 aa 520 aa 36.2 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Serotonin transporter   630 aa 629 aa 47.1 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Serotonin transporter   630 aa 581 aa 40.1 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Echinococcus multilocularis sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Dopamine transporter   619 aa 604 aa 37.9 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Serotonin transporter   630 aa 638 aa 25.1 %
Neospora caninum sodium-dependent transporter, putative Dopamine transporter   619 aa 498 aa 32.3 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 582 aa 35.2 %
Echinococcus granulosus sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 509 aa 28.3 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Serotonin transporter   630 aa 585 aa 34.2 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 31.8 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 552 aa 41.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0431 0.0309
Loa Loa (eye worm) hypothetical protein 0.0031 0.0718 0.0802
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0126 0.2204
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.0718 1
Loa Loa (eye worm) hypothetical protein 0.004 0.1148 0.1298
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.0718 0.0944
Loa Loa (eye worm) hypothetical protein 0.0182 0.7605 0.8735
Treponema pallidum sodium- and chloride- dependent transporter 0.0182 0.7605 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0028 0.0571 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.6051 0.6946
Echinococcus granulosus serine protein kinase ATM 0.0025 0.0431 0.054
Echinococcus multilocularis sodium and chloride dependent glycine 0.0031 0.0718 0.0918
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0126 0.2204
Trichomonas vaginalis set domain proteins, putative 0.0235 1 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0079 0.0076
Plasmodium vivax SET domain protein, putative 0.003 0.0657 0.586
Brugia malayi eukaryotic initiation factor 4A 0.0028 0.0571 0.0633
Brugia malayi Pre-SET motif family protein 0.0207 0.8702 1
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0028 0.0571 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.0718 0.0944
Plasmodium falciparum transporter, putative 0.0031 0.0718 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0431 0.0471
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0274 0.4795
Toxoplasma gondii hypothetical protein 0.0031 0.0718 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0018 0.0126 0.2204
Echinococcus granulosus muscleblind protein 0.0148 0.6051 0.7952
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0079 0.0104
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.8702 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0031 0.0718 0.0802
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0028 0.0571 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0718 0.0802
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0657 0.0838
Schistosoma mansoni hypothetical protein 0.0016 0.0021 0.0028
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0126 0.2204
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0327 0.0403
Loa Loa (eye worm) hypothetical protein 0.0148 0.6051 0.6946
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0028 0.0571 1
Echinococcus multilocularis zinc finger protein 0.0019 0.0193 0.0226
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0126 0.2204
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0018 0.0126 0.2204
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.0718 0.0944
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1559 0.1772
Schistosoma mansoni bromodomain containing protein 0.0063 0.2165 0.2848
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0931 0.12
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0126 0.0138
Schistosoma mansoni sodium/chloride dependent transporter 0.0182 0.7605 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0028 0.0571 0.0451
Entamoeba histolytica hypothetical protein 0.0025 0.0431 0.6853
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0126 0.012
Loa Loa (eye worm) hypothetical protein 0.0031 0.0718 0.0802
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0031 0.0718 0.0944
Brugia malayi Pre-SET motif family protein 0.003 0.0657 0.0732
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0028 0.0571 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0031 0.0718 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.1426 0.1618
Brugia malayi Muscleblind-like protein 0.0148 0.6051 0.6946
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0031 0.0718 0.0918
Echinococcus granulosus serotonin transporter 0.0182 0.7605 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0126 0.2204
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0327 0.0403
Echinococcus granulosus sodium and chloride dependent glycine 0.0031 0.0718 0.0918
Schistosoma mansoni sodium-dependent amino acid transporter 0.0031 0.0718 0.0944
Echinococcus multilocularis muscleblind protein 1 0.0148 0.6051 0.7952
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0126 0.2204
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.0718 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0028 0.0571 0.0724
Leishmania major eukaryotic initiation factor 4a, putative 0.0028 0.0571 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0031 0.0718 0.0944
Loa Loa (eye worm) hypothetical protein 0.0021 0.0274 0.029
Plasmodium vivax amine transporter, putative 0.0031 0.0718 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0127 0.2231
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1426 0.1876
Loa Loa (eye worm) hypothetical protein 0.0031 0.0718 0.0802
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.0126 0.2204
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0657 0.8972
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1559 0.1772
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0107 0.0098
Leishmania major eukaryotic initiation factor 4a, putative 0.0028 0.0571 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0126 0.012
Loa Loa (eye worm) serotonin transporter b 0.0182 0.7605 0.8735
Schistosoma mansoni hypothetical protein 0.0016 0.0021 0.0028
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0028 0.0571 0.7516
Onchocerca volvulus 0.0031 0.0718 0.0156
Echinococcus granulosus eukaryotic initiation factor 4A 0.0028 0.0571 0.0724
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0182 0.7605 0.8735
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.0718 0.0944
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.0718 0.0944
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0028 0.0571 0.0451
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.0431 0.054
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0028 0.0571 0.075
Loa Loa (eye worm) hypothetical protein 0.0034 0.0848 0.0952
Plasmodium falciparum amino acid transporter, putative 0.0031 0.0718 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0241 0.0253
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0031 0.0718 0.0802
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.0126 0.2204
Loa Loa (eye worm) hypothetical protein 0.0028 0.0571 0.0633
Brugia malayi Bromodomain containing protein 0.0038 0.1038 0.1171
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0848 0.0952
Echinococcus granulosus zinc finger protein 0.0019 0.0193 0.0226
Loa Loa (eye worm) hypothetical protein 0.0182 0.7605 0.8735
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0718 0.0802
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0126 0.012
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0031 0.0718 0.0918
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0718 0.0802
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0025 0.0431 0.7547
Loa Loa (eye worm) hypothetical protein 0.0182 0.7605 0.8735
Loa Loa (eye worm) hypothetical protein 0.0038 0.1041 0.1175
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0028 0.0571 0.0451
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0031 0.0718 0.0918
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0126 0.0138
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.2004 0.2614
Loa Loa (eye worm) hypothetical protein 0.0049 0.1559 0.1772
Loa Loa (eye worm) hypothetical protein 0.0031 0.0718 0.0802
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0028 0.0571 0.0724
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.2004 0.2614
Schistosoma mansoni hypothetical protein 0.0016 0.0021 0.0028
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.0718 0.0944
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0718 1
Schistosoma mansoni hypothetical protein 0.002 0.0241 0.0317
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0079 0.0076
Toxoplasma gondii hypothetical protein 0.0031 0.0718 1
Echinococcus multilocularis muscleblind protein 0.0148 0.6051 0.7952
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0607 0.0773
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.1426 0.1853
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0126 0.2204
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0126 0.0165
Loa Loa (eye worm) norepinephrine transporter 0.0182 0.7605 0.8735
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0028 0.0571 0.075
Loa Loa (eye worm) hypothetical protein 0.0031 0.0718 0.0802
Schistosoma mansoni sodium/chloride dependent transporter 0.0031 0.0718 0.0944
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0126 0.2204
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.1426 0.1853
Echinococcus multilocularis serotonin transporter 0.0182 0.7605 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0126 0.0138
Toxoplasma gondii FATC domain-containing protein 0.0025 0.0431 0.5151
Onchocerca volvulus 0.003 0.0657 0.0091
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0126 0.2204
Schistosoma mansoni hypothetical protein 0.0034 0.0848 0.1115
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0127 0.2231
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0031 0.0718 0.0802
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0031 0.0718 0.0918
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0126 0.0165
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0126 0.2204
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0182 0.7605 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0031 0.0718 0.0918
Loa Loa (eye worm) hypothetical protein 0.0031 0.0718 0.0802
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0126 0.012
Loa Loa (eye worm) solute carrier family 6 member 4 0.0182 0.7605 0.8735
Brugia malayi Bromodomain containing protein 0.0074 0.2694 0.3079
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.0431 0.0566
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0031 0.0718 0.0918
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0079 0.0104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1426 0.1876
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0031 0.0718 0.0918
Loa Loa (eye worm) hypothetical protein 0.0042 0.1234 0.1397
Schistosoma mansoni zinc finger protein 0.0019 0.0193 0.0254
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0018 0.0126 0.2204
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0028 0.0571 0.0724
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0031 0.0718 0.0918
Onchocerca volvulus 0.0182 0.7605 0.746
Brugia malayi PHD-finger family protein 0.0025 0.0434 0.0475
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1559 0.1772
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0028 0.0571 1
Onchocerca volvulus 0.0031 0.0718 0.0156
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0126 0.0138
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.0718 1
Brugia malayi hypothetical protein 0.0031 0.0718 0.0802
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0327 0.043
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0431 0.7547
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0031 0.0718 0.0944
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0931 0.12
Echinococcus multilocularis sodium and chloride dependent glycine 0.0031 0.0718 0.0918
Loa Loa (eye worm) hypothetical protein 0.0031 0.0718 0.0802
Schistosoma mansoni hypothetical protein 0.0016 0.0021 0.0028
Onchocerca volvulus 0.0031 0.0718 0.0156
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0657 0.0864
Loa Loa (eye worm) hypothetical protein 0.007 0.2501 0.2857
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0657 0.0864

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 83 nM Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-5-HT on synaptosomes obtained from whole rat brain minus cerebellum. ChEMBL. 9057857
IC50 (functional) = 83 nM Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-5-HT on synaptosomes obtained from whole rat brain minus cerebellum. ChEMBL. 9057857
IC50 (binding) = 114 nM Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes. ChEMBL. 9057857
IC50 (binding) = 114 nM Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes. ChEMBL. 9057857
IC50 (binding) = 336 nM Binding affinity at the serotonin transporter using [125I]-RTI-55 in rat caudate membranes. ChEMBL. 9057857
IC50 (binding) = 336 nM Binding affinity at the serotonin transporter using [125I]-RTI-55 in rat caudate membranes. ChEMBL. 9057857
IC50 (functional) = 406 nM Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-dopamine on synaptosomes obtained from rat caudate. ChEMBL. 9057857
IC50 (functional) = 406 nM Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-dopamine on synaptosomes obtained from rat caudate. ChEMBL. 9057857
Ratio (functional) = 3.6 Ratio of reuptake inhibition on DA with respect to binding affinity of DA ChEMBL. 9057857
Ratio (functional) < 1 Ratio of reuptake inhibition of 5-HT with respect to DA ChEMBL. 9057857
Ratio (binding) = 3 Ratio of binding affinity on SERT with respect to DA ChEMBL. 9057857
Ratio (functional) = 3.6 Ratio of reuptake inhibition on DA with respect to binding affinity of DA ChEMBL. 9057857

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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