Detailed information for compound 75247

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.454 | Formula: C22H26N2O2
  • H donors: 1 H acceptors: 1 LogP: 3.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1C2CCC(N2C)CC1c1ccc(cc1)c1cccc(c1)N
  • InChi: 1S/C22H26N2O2/c1-24-18-10-11-20(24)21(22(25)26-2)19(13-18)15-8-6-14(7-9-15)16-4-3-5-17(23)12-16/h3-9,12,18-21H,10-11,13,23H2,1-2H3
  • InChiKey: FNFCKPGBCJVUBJ-UHFFFAOYSA-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 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
Brugia malayi Sodium:neurotransmitter symporter family 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
Treponema pallidum sodium- and chloride- dependent transporter 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) 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
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus 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
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 ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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
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
Schistosoma mansoni sodium/chloride dependent 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 High affinity copper uptake protein 1 homolog Serotonin transporter   630 aa 629 aa 47.1 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 31.8 %
Neospora caninum sodium-dependent transporter, putative Dopamine transporter   619 aa 498 aa 32.3 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
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 %
Echinococcus granulosus sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Onchocerca volvulus Serotonin transporter   630 aa 611 aa 26.4 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Serotonin transporter   630 aa 585 aa 34.2 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 509 aa 28.3 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 582 aa 35.2 %
Onchocerca volvulus Transmembrane protein 120 homolog Serotonin transporter   630 aa 571 aa 31.2 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 552 aa 41.5 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Serotonin transporter   630 aa 520 aa 36.2 %
Echinococcus multilocularis sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Serotonin transporter   630 aa 581 aa 40.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0064 0.0617 0.0867
Entamoeba histolytica DNA topoisomerase II, putative 0.0149 0.2398 0.5
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0087 0.1101 0.5
Loa Loa (eye worm) hypothetical protein 0.0218 0.3822 0.5367
Echinococcus granulosus glutamate receptor 2 0.0075 0.0838 0.1103
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0064 0.0617 0.079
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0064 0.0617 0.079
Brugia malayi Trypsin family protein 0.0218 0.3822 0.3785
Loa Loa (eye worm) hypothetical protein 0.0376 0.7121 1
Plasmodium vivax topoisomerase I, putative 0.02 0.3447 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0045 0.0229 0.024
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0064 0.0617 0.0561
Brugia malayi Protein kinase domain containing protein 0.0048 0.0281 0.0223
Schistosoma mansoni hypothetical protein 0.0048 0.0281 0.0314
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0075 0.0838 0.1103
Schistosoma mansoni DNA topoisomerase type I 0.02 0.3447 0.4797
Loa Loa (eye worm) glutamate receptor 2 0.0058 0.0504 0.0707
Plasmodium falciparum transporter, putative 0.0064 0.0617 0.1062
Schistosoma mansoni sodium/chloride dependent transporter 0.0064 0.0617 0.079
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.0184 0.0176
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0149 0.2398 0.3311
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.004 0.0115 0.0095
Schistosoma mansoni glutamate receptor AMPA 0.0058 0.0504 0.0628
Plasmodium vivax thioredoxin reductase, putative 0.0067 0.069 0.1293
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0064 0.0617 0.079
Loa Loa (eye worm) thioredoxin reductase 0.0067 0.069 0.097
Loa Loa (eye worm) hypothetical protein 0.0048 0.0281 0.0395
Schistosoma mansoni hypothetical protein 0.0044 0.0197 0.0194
Echinococcus multilocularis sodium and chloride dependent glycine 0.0064 0.0617 0.079
Echinococcus granulosus thioredoxin glutathione reductase 0.0067 0.069 0.0893
Onchocerca volvulus 0.0044 0.0197 0.0194
Trypanosoma cruzi DNA topoisomerase II, putative 0.0141 0.223 0.6156
Loa Loa (eye worm) hypothetical protein 0.0376 0.7121 1
Onchocerca volvulus 0.0064 0.0617 0.079
Onchocerca volvulus 0.0044 0.0197 0.0194
Echinococcus multilocularis serotonin transporter 0.0376 0.7121 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.7121 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.0108 0.0069
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0295 0.5429 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0064 0.0617 0.079
Schistosoma mansoni sodium/chloride dependent transporter 0.0376 0.7121 1
Trypanosoma brucei membrane transporter protein, putative 0.0073 0.0806 0.0419
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0064 0.0617 0.0867
Echinococcus multilocularis thioredoxin glutathione reductase 0.0067 0.069 0.0893
Schistosoma mansoni glutamate receptor NMDA 0.0117 0.1732 0.2368
Echinococcus granulosus multidrug and toxin extrusion protein 2 0.0073 0.0806 0.1057
Schistosoma mansoni glutamate receptor kainate 0.0058 0.0504 0.0628
Echinococcus granulosus glutamate receptor NMDA 0.0084 0.1042 0.1392
Plasmodium vivax DNA topoisomerase II, putative 0.0149 0.2398 0.6686
Schistosoma mansoni DNA topoisomerase type I 0.02 0.3447 0.4797
Onchocerca volvulus 0.0376 0.7121 1
Echinococcus granulosus nmda type glutamate receptor 0.0155 0.2523 0.3488
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0075 0.0838 0.1103
Plasmodium falciparum topoisomerase I 0.02 0.3447 1
Echinococcus granulosus DNA topoisomerase 1 0.02 0.3447 0.4797
Treponema pallidum sodium- and chloride- dependent transporter 0.0376 0.7121 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0087 0.1101 0.2669
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.02 0.3447 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0064 0.0617 0.079
Leishmania major DNA topoisomerase ii 0.0141 0.223 0.6156
Echinococcus granulosus sodium and chloride dependent glycine 0.0064 0.0617 0.079
Plasmodium falciparum DNA gyrase subunit B 0.0087 0.1101 0.259
Chlamydia trachomatis DNA gyrase subunit B 0.0069 0.072 0.614
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0064 0.0617 0.079
Loa Loa (eye worm) DNA topoisomerase I 0.02 0.3447 0.4841
Loa Loa (eye worm) trypsin family protein 0.0037 0.006 0.0084
Echinococcus multilocularis Multi antimicrobial extrusion protein MatE 0.0067 0.0673 0.0868
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.0084
Loa Loa (eye worm) TK/ROR protein kinase 0.0048 0.0281 0.0395
Echinococcus multilocularis glutamate receptor 2 0.0058 0.0504 0.0628
Echinococcus granulosus amiloride sensitive amine oxidase 0.0091 0.1187 0.1597
Echinococcus multilocularis glutamate receptor 2 0.0075 0.0838 0.1103
Echinococcus multilocularis nmda type glutamate receptor 0.0155 0.2523 0.3488
Toxoplasma gondii thioredoxin reductase 0.0067 0.069 0.1385
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.0084
Toxoplasma gondii kringle domain-containing protein 0.0048 0.0281 0.0106
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0064 0.0617 0.5095
Leishmania major trypanothione reductase 0.0067 0.069 0.1293
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.0084
Echinococcus multilocularis amiloride sensitive amine oxidase 0.0091 0.1187 0.1597
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0101 0.1389 0.1883
Toxoplasma gondii DNA topoisomerase I, putative 0.02 0.3447 1
Trypanosoma cruzi trypanothione reductase, putative 0.0067 0.069 0.1293
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0806 0.1658
Loa Loa (eye worm) hypothetical protein 0.0064 0.0617 0.0867
Loa Loa (eye worm) hypothetical protein 0.0064 0.0617 0.0867
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0064 0.0617 0.079
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0376 0.7121 1
Brugia malayi glutathione reductase 0.0067 0.069 0.0635
Loa Loa (eye worm) hypothetical protein 0.0064 0.0617 0.0867
Giardia lamblia DNA topoisomerase II 0.0142 0.2236 0.5
Loa Loa (eye worm) DOMON domain-containing protein 0.0044 0.0197 0.0277
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0141 0.223 0.5585
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0117 0.1732 0.2368
Leishmania major acetyltransferase-like protein 0.0111 0.1601 0.4169
Plasmodium vivax glutathione reductase, putative 0.0067 0.069 0.1293
Onchocerca volvulus 0.0218 0.3822 0.5328
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.0108 0.0049
Echinococcus multilocularis sodium and chloride dependent glycine 0.0064 0.0617 0.079
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0149 0.2398 0.3311
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0064 0.0617 0.079
Toxoplasma gondii DNA topoisomerase 2, putative 0.0149 0.2398 0.6721
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.02 0.3447 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1392 0.1955
Echinococcus granulosus glutamate NMDA receptor subunit 0.0117 0.1732 0.2368
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.0084
Schistosoma mansoni glutamate receptor NMDA 0.0159 0.2593 0.3588
Loa Loa (eye worm) hypothetical protein 0.0218 0.3822 0.5367
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.0184 0.0176
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0218 0.3822 0.5328
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0064 0.0617 0.079
Mycobacterium ulcerans acetyltransferase 0.0111 0.1601 0.2641
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0168 0.2778 0.7888
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0039 0.0096 0.5
Loa Loa (eye worm) norepinephrine transporter 0.0376 0.7121 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0064 0.0617 0.079
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0141 0.223 0.5585
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0064 0.0617 0.0561
Leishmania major mitochondrial DNA topoisomerase II 0.0168 0.2778 0.7888
Loa Loa (eye worm) glutamate receptor 1 0.0058 0.0504 0.0707
Echinococcus granulosus nmda type glutamate receptor 0.01 0.1377 0.1866
Plasmodium vivax hypothetical protein, conserved 0.0064 0.0617 0.1062
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0064 0.0617 0.1157
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0075 0.0838 0.1103
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0087 0.1101 0.1408
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0806 0.1658
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.0108 0.0069
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0064 0.0617 0.0561
Loa Loa (eye worm) hypothetical protein 0.0061 0.0553 0.0776
Schistosoma mansoni DNA topoisomerase II 0.0149 0.2398 0.3311
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.0084
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0376 0.7121 0.7104
Loa Loa (eye worm) hypothetical protein 0.0044 0.0197 0.0277
Trypanosoma brucei membrane transporter protein, putative 0.0073 0.0806 0.0419
Schistosoma mansoni multidrug resistance protein 0.0073 0.0806 0.1057
Echinococcus granulosus tissue type plasminogen activator 0.0048 0.0281 0.0314
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0234 0.4157 0.5802
Onchocerca volvulus 0.0044 0.0197 0.0194
Loa Loa (eye worm) TOPoisomerase family member 0.0149 0.2398 0.3367
Onchocerca volvulus 0.0048 0.0281 0.0314
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0149 0.2398 0.2352
Loa Loa (eye worm) hypothetical protein 0.0101 0.1392 0.1955
Trypanosoma brucei MATE efflux family protein, putative 0.0073 0.0806 0.0419
Brugia malayi hypothetical protein 0.0064 0.0617 0.0561
Mycobacterium ulcerans DNA gyrase subunit B 0.0087 0.1101 0.1785
Echinococcus granulosus glutamate receptor 2 0.0043 0.0185 0.0178
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0108 0.0152
Onchocerca volvulus 0.0064 0.0617 0.079
Schistosoma mansoni amine GPCR 0.02 0.3449 0.4799
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0101 0.1389 0.1883
Loa Loa (eye worm) hypothetical protein 0.0064 0.0617 0.0867
Toxoplasma gondii hypothetical protein 0.0064 0.0617 0.1157
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0149 0.2398 0.2352
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0064 0.0617 0.079
Onchocerca volvulus 0.0044 0.0197 0.0194
Echinococcus multilocularis DNA topoisomerase 1 0.02 0.3447 0.4797
Echinococcus multilocularis multidrug and toxin extrusion protein 2 0.0073 0.0806 0.1057
Schistosoma mansoni glutamate receptor kainate 0.0058 0.0504 0.0628
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0317 0.5895 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0617 0.0867
Trichomonas vaginalis DNA topoisomerase II, putative 0.0149 0.2398 1
Trypanosoma cruzi membrane transporter protein, putative 0.0073 0.0806 0.1658
Onchocerca volvulus 0.0181 0.305 0.4234
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0064 0.0617 0.079
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0064 0.0617 0.079
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0075 0.0838 0.1103
Schistosoma mansoni glutamate receptor kainate 0.0058 0.0504 0.0628
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0064 0.0617 0.079
Leishmania major hypothetical protein, conserved 0.0073 0.0806 0.1658
Schistosoma mansoni hypothetical protein 0.0091 0.1187 0.1597
Echinococcus multilocularis glutamate receptor 2 0.0043 0.0185 0.0178
Brugia malayi Thioredoxin reductase 0.0067 0.069 0.0635
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0064 0.0617 0.0867
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0101 0.1389 0.1883
Loa Loa (eye worm) hypothetical protein 0.0061 0.0553 0.0776
Brugia malayi Muscle positioning protein 4 0.0044 0.0197 0.0138
Brugia malayi Glutamate receptor 1 precursor 0.0058 0.0504 0.0446
Toxoplasma gondii hypothetical protein 0.0064 0.0617 0.1157
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0806 0.1658
Brugia malayi Probable DNA topoisomerase II 0.0149 0.2398 0.2352
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0064 0.0617 0.1157
Loa Loa (eye worm) hypothetical protein 0.0044 0.0197 0.0277
Schistosoma mansoni ATP-binding cassette transporter 0.0058 0.0504 0.0628
Loa Loa (eye worm) hypothetical protein 0.0064 0.0617 0.0867
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.1377 0.1866
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0075 0.0838 0.1103
Plasmodium falciparum thioredoxin reductase 0.0067 0.069 0.1293
Schistosoma mansoni DNA topoisomerase type I 0.02 0.3447 0.4797
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0075 0.0838 0.1103
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0317 0.5895 1
Brugia malayi SEA domain containing protein 0.0044 0.0197 0.0138
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0806 0.1658
Leishmania major DNA topoisomerase IB, large subunit 0.02 0.3447 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0141 0.223 0.6156
Loa Loa (eye worm) solute carrier family 6 member 4 0.0376 0.7121 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0075 0.0838 0.1103
Echinococcus multilocularis glutamate receptor NMDA 0.0084 0.1042 0.1392
Echinococcus multilocularis tissue type plasminogen activator 0.0048 0.0281 0.0314
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0087 0.1101 0.1856
Schistosoma mansoni sodium-dependent amino acid transporter 0.0064 0.0617 0.079
Chlamydia trachomatis DNA gyrase subunit B 0.0087 0.1101 1
Leishmania major hypothetical protein, conserved 0.0073 0.0806 0.1658
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0075 0.0838 0.1103
Trypanosoma brucei DNA topoisomerase ii 0.0168 0.2778 0.7575
Onchocerca volvulus 0.0064 0.0617 0.079
Schistosoma mansoni sodium/chloride dependent transporter 0.0064 0.0617 0.079
Plasmodium falciparum glutathione reductase 0.0067 0.069 0.1293
Loa Loa (eye worm) serotonin transporter b 0.0376 0.7121 1
Brugia malayi Glutamate receptor 2 precursor 0.0058 0.0504 0.0446
Plasmodium vivax amine transporter, putative 0.0064 0.0617 0.1062
Loa Loa (eye worm) glutathione reductase 0.0067 0.069 0.097
Trypanosoma brucei membrane transporter protein, putative 0.0073 0.0806 0.0419
Echinococcus granulosus serotonin transporter 0.0376 0.7121 1
Plasmodium falciparum amino acid transporter, putative 0.0064 0.0617 0.1062
Brugia malayi Kringle domain containing protein 0.0048 0.0281 0.0223
Schistosoma mansoni glutamate receptor AMPA 0.0058 0.0504 0.0628
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0071 0.0768 0.1003
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0064 0.0617 0.079
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0064 0.0617 0.1157
Brugia malayi DNA topoisomerase I 0.02 0.3447 0.3408
Schistosoma mansoni copper/topaquinone oxidase 0.0091 0.1187 0.1597
Plasmodium falciparum DNA topoisomerase 2 0.0149 0.2398 0.6686
Onchocerca volvulus 0.0044 0.0197 0.0194
Plasmodium vivax DNA gyrase subunit B, putative 0.0087 0.1101 0.259
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0064 0.0617 0.079
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0806 0.1658
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0168 0.2778 0.7888
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0067 0.069 0.1083
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0064 0.0617 0.0561

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 24.2 nM Displacement of [3H]-GBR-12,935 from rat forebrain Dopamine transporter ChEMBL. 10969967
Ki (binding) = 24.2 nM Displacement of [3H]-GBR-12,935 from rat forebrain Dopamine transporter ChEMBL. 10969967
Ki (binding) = 67.3 nM Affinity for Serotonin transporter by displacing [3H]-Paroxetine from rat forebrain ChEMBL. 10969967
Ki (binding) = 67.3 nM Affinity for Serotonin transporter by displacing [3H]-Paroxetine from rat forebrain ChEMBL. 10969967
Selectivity (binding) = 0.36 Selectivity for 5-HTT and DAT of rat forebrain ChEMBL. 10969967

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.