Detailed information for compound 309172

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 415.547 | Formula: C26H25NO2S
  • H donors: 0 H acceptors: 1 LogP: 5.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)cccc2)OCC1C2CC3N(C1CC3)C/C/2=C\c1cccs1
  • InChi: 1S/C26H25NO2S/c28-26(19-8-7-17-4-1-2-5-18(17)12-19)29-16-24-23-14-21-9-10-25(24)27(21)15-20(23)13-22-6-3-11-30-22/h1-8,11-13,21,23-25H,9-10,14-16H2/b20-13+
  • InChiKey: HKCXATAGMOKJIB-DEDYPNTBSA-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
Rattus norvegicus Norepinephrine transporter Starlite/ChEMBL References
Rattus norvegicus Dopamine transporter Starlite/ChEMBL References
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Sodium:neurotransmitter symporter family 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) norepinephrine transporter 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
Schistosoma japonicum Sodium-dependent dopamine transporter, putative 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
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
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 japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing 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
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
Loa Loa (eye worm) solute carrier family 6 member 4 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) hypothetical protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.0 %
Onchocerca volvulus Norepinephrine transporter   597 aa 540 aa 46.3 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 508 aa 32.7 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Norepinephrine transporter   597 aa 501 aa 39.7 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 522 aa 22.0 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Norepinephrine transporter   597 aa 551 aa 47.4 %
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Norepinephrine transporter   597 aa 549 aa 41.9 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Norepinephrine transporter   597 aa 569 aa 24.8 %
Loa Loa (eye worm) hypothetical protein Norepinephrine transporter   597 aa 551 aa 25.0 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Norepinephrine transporter   597 aa 545 aa 41.7 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Norepinephrine transporter   597 aa 513 aa 38.4 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 595 aa 34.0 %
Onchocerca volvulus Norepinephrine transporter   597 aa 570 aa 38.6 %
Brugia malayi Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 581 aa 34.6 %
Onchocerca volvulus Norepinephrine transporter   597 aa 554 aa 38.6 %
Neospora caninum sodium-dependent transporter, putative Norepinephrine transporter   597 aa 507 aa 30.4 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Onchocerca volvulus Transmembrane protein 120 homolog Norepinephrine transporter   597 aa 577 aa 34.0 %
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative Norepinephrine transporter   597 aa 579 aa 22.1 %
Plasmodium yoelii hypothetical protein Norepinephrine transporter   597 aa 478 aa 19.7 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Schistosoma mansoni sodium/chloride dependent transporter Norepinephrine transporter   597 aa 534 aa 41.0 %
Onchocerca volvulus Norepinephrine transporter   597 aa 548 aa 24.8 %
Plasmodium vivax amine transporter, putative Norepinephrine transporter   597 aa 483 aa 21.1 %
Schistosoma mansoni sodium/chloride dependent transporter Norepinephrine transporter   597 aa 529 aa 41.6 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 579 aa 35.1 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum sodium- and chloride- dependent transporter 0.0292 0.3521 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0367 0.4522 0.4511
Brugia malayi nuclear receptor NHR-88 0.0778 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.005 0.0292 0.0292
Plasmodium falciparum transporter, putative 0.005 0.0292 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0778 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0411 0.5109 0.5099
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0778 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0367 0.4522 0.4522
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0778 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0367 0.4522 0.4522
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0292 0.5
Loa Loa (eye worm) hypothetical protein 0.0292 0.3521 0.3521
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0292 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0778 1 1
Entamoeba histolytica hypothetical protein 0.0029 0.0021 0.5
Brugia malayi nuclear receptor NHR-88 0.0367 0.4522 0.4522
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0778 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.025 0.2961 0.2961
Schistosoma mansoni RAR-like nuclear receptor 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0778 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0367 0.4522 0.4511
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0778 1 1
Brugia malayi hypothetical protein 0.0029 0.0021 0.0021
Plasmodium vivax amine transporter, putative 0.005 0.0292 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0778 1 1
Brugia malayi conserved hypotetical protein 0.0367 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.005 0.0292 0.0292
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0778 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0292 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0292 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0778 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0778 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0367 0.4522 0.4511
Loa Loa (eye worm) hypothetical protein 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0778 1 1
Brugia malayi nuclear hormone receptor 0.0367 0.4522 0.4522
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0292 0.0292
Brugia malayi Nuclear hormone receptor E75 0.0367 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0778 1 1
Brugia malayi hypothetical protein 0.0367 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.0778 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0292 0.0272
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0778 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0778 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0292 0.0272
Schistosoma mansoni nuclear receptor 0.0367 0.4522 0.4522
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0778 1 1
Brugia malayi Nuclear hormone receptor E75 0.0367 0.4522 0.4522
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0778 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0778 1 1
Schistosoma mansoni nuclear hormone receptor 0.0778 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.3521 0.3521
Brugia malayi hypothetical protein 0.0411 0.5109 0.5109
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.005 0.0292 0.0272
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.005 0.0292 0.0272
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0292 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0778 1 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.005 0.0292 0.0272
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0367 0.4522 0.4511
Loa Loa (eye worm) hypothetical protein 0.0778 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0411 0.5109 0.5109
Echinococcus granulosus ecdysone induced protein 78C 0.0778 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0367 0.4522 0.4522
Brugia malayi nuclear receptor NHR-67 0.0367 0.4522 0.4522
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0411 0.5109 0.5109
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0411 0.5109 0.5109
Echinococcus granulosus Nuclear hormone receptor HR96 0.0367 0.4522 0.4511
Toxoplasma gondii hypothetical protein 0.005 0.0292 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0778 1 1
Plasmodium falciparum amino acid transporter, putative 0.005 0.0292 0.5
Schistosoma mansoni sodium-dependent amino acid transporter 0.005 0.0292 0.0292
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0292 0.0292
Schistosoma mansoni coup transcription factor 0.0778 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0367 0.4522 0.4511
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0778 1 1
Entamoeba histolytica hypothetical protein 0.0029 0.0021 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0367 0.4522 0.4511
Brugia malayi hypothetical protein 0.0411 0.5109 0.5109
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0367 0.4522 0.4511
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0292 0.0292
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0778 1 1
Schistosoma mansoni hypothetical protein 0.025 0.2961 0.2961
Brugia malayi RNA, U transporter 1 0.0067 0.0518 0.0518
Brugia malayi ecdysone receptor 0.0367 0.4522 0.4522
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.004 0.0171 0.0171
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0292 0.0272
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0292 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0778 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0029 0.0021 0.0021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0778 1 1
Brugia malayi steroid hormone receptor 0.0778 1 1
Toxoplasma gondii hypothetical protein 0.005 0.0292 0.5
Brugia malayi nuclear hormone receptor family member nhr-6 0.0367 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.005 0.0292 0.0292
Echinococcus granulosus nuclear receptor nhr 48 0.0367 0.4522 0.4511
Loa Loa (eye worm) pigment dispersing factor receptor c 0.004 0.0171 0.0171
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0778 1 1
Onchocerca volvulus 0.0367 0.4522 0.4358
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0292 0.0272
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.3521 0.3521
Brugia malayi Calcitonin receptor-like protein seb-1 0.004 0.0171 0.0171
Echinococcus multilocularis serotonin transporter 0.0292 0.3521 0.3508
Schistosoma mansoni steroid hormone receptor ad4bp 0.0778 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0778 1 1
Onchocerca volvulus 0.0778 1 1
Plasmodium vivax hypothetical protein, conserved 0.005 0.0292 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0778 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0778 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0778 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0778 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0778 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Brugia malayi hypothetical protein 0.005 0.0292 0.0292
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0292 0.0292
Brugia malayi nuclear hormone receptor 0.0778 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0778 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0411 0.5109 0.5109
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.005 0.0292 0.5
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.005 0.0292 0.0272
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Schistosoma mansoni nuclear receptor 0.0367 0.4522 0.4522
Onchocerca volvulus Bile acid receptor homolog 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0411 0.5109 0.5109
Schistosoma mansoni zinc finger protein 0.0367 0.4522 0.4522
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0778 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0367 0.4522 0.4358
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0411 0.5109 0.5109
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Brugia malayi Nuclear hormone receptor-like 1 0.0411 0.5109 0.5109
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.3521 0.3521
Brugia malayi nuclear hormone receptor family member odr-7 0.0367 0.4522 0.4522
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0778 1 1
Brugia malayi hypothetical protein 0.0367 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.005 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0778 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0292 0.0292
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.005 0.0292 0.0272
Schistosoma mansoni hypothetical protein 0.0029 0.0021 0.0021
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0778 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0367 0.4522 0.4522
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0411 0.5109 0.5099
Echinococcus granulosus snurportin 1 0.025 0.2961 0.2947
Echinococcus granulosus FTZ F1 alpha 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0292 0.3521 0.3521
Loa Loa (eye worm) hypothetical protein 0.005 0.0292 0.0292
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0367 0.4522 0.4511
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0778 1 1
Echinococcus granulosus serotonin transporter 0.0292 0.3521 0.3508
Loa Loa (eye worm) hypothetical protein 0.0411 0.5109 0.5109
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0292 0.0292
Entamoeba histolytica hypothetical protein 0.0029 0.0021 0.5
Onchocerca volvulus 0.0367 0.4522 0.4358
Brugia malayi Nuclear hormone receptor-like 1 0.0778 1 1
Brugia malayi tailless protein 0.0367 0.4522 0.4522
Entamoeba histolytica hypothetical protein 0.0029 0.0021 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0292 0.0272
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0292 0.0292
Onchocerca volvulus 0.0292 0.3521 0.3326
Loa Loa (eye worm) steroid hormone receptor 0.0778 1 1
Loa Loa (eye worm) serotonin transporter b 0.0292 0.3521 0.3521
Schistosoma mansoni thyroid hormone receptor 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Brugia malayi nuclear receptor RXR 0.0367 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.0778 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0367 0.4522 0.4358
Brugia malayi nuclear receptor RXR 0.0411 0.5109 0.5109
Loa Loa (eye worm) hypothetical protein 0.0292 0.3521 0.3521
Brugia malayi orphan nuclear receptor NR2E1 0.0367 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Schistosoma mansoni thyroid hormone receptor 0.0778 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.005 0.0292 0.0292
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0292 0.0292
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.3521 0.3521
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.004 0.0171 0.0171
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.005 0.0292 0.0292
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0411 0.5109 0.5109
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0778 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0778 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0367 0.4522 0.4511
Schistosoma mansoni nuclear hormone receptor 0.0367 0.4522 0.4522
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0778 1 1
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0367 0.4522 0.4511
Loa Loa (eye worm) DR-78 0.0367 0.4522 0.4522
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0367 0.4522 0.4522
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.3521 0.3521
Schistosoma mansoni nuclear hormone receptor 0.0367 0.4522 0.4522
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0778 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0778 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0411 0.5109 0.5109
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0778 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0778 1 1
Echinococcus multilocularis snurportin 1 0.025 0.2961 0.2947
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0367 0.4522 0.4522
Schistosoma mansoni nuclear receptor nhr-48 0.0367 0.4522 0.4522
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0367 0.4522 0.4522
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0292 0.0292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0778 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 169 nM Inhibition of [3H]-5-HT reuptake at serotonin transporter in rat mid brain ChEMBL. 11909701
Ki (binding) = 169 nM Inhibition of [3H]-5-HT reuptake at serotonin transporter in rat mid brain ChEMBL. 11909701
Ki (binding) = 1234 nM Inhibition of [3H]-NE reuptake at Norepinephrin transporter in rat parietal/occipital cortex ChEMBL. 11909701
Ki (binding) = 1234 nM Inhibition of [3H]-NE reuptake at Norepinephrin transporter in rat parietal/occipital cortex ChEMBL. 11909701
Ki (binding) = 1678 nM Inhibition of [3H]-DA reuptake at dopamine transporter in rat striatum ChEMBL. 11909701
Ki (binding) = 1678 nM Inhibition of [3H]-DA reuptake at dopamine transporter in rat striatum ChEMBL. 11909701
Ratio (binding) = 0.1 Relative reuptake inhibition at serotonin and dopamine transporters ChEMBL. 11909701
Ratio (binding) = 0.74 Relative reuptake inhibition at norepinephrine and dopamine transporters ChEMBL. 11909701
Ratio (binding) = 7.28 Relative reuptake inhibition at norepinephrine and serotonin transporters ChEMBL. 11909701

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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