Detailed information for compound 85234

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.531 | Formula: C24H25FN2O2S
  • H donors: 2 H acceptors: 1 LogP: 4.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H](CN1CCC(CC1)c1cc2c(s1)cc(cc2)F)COc1cccc2c1cc[nH]2
  • InChi: 1S/C24H25FN2O2S/c25-18-5-4-17-12-23(30-24(17)13-18)16-7-10-27(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-26-21/h1-6,9,12-13,16,19,26,28H,7-8,10-11,14-15H2/t19-/m0/s1
  • InChiKey: YXCWXVXALVIDQG-IBGZPJMESA-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
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 4 Starlite/ChEMBL References
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum Sodium-dependent noradrenaline 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
Echinococcus multilocularis 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 mansoni sodium/chloride dependent 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
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) solute carrier family 6 member 4 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 ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus 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 Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249
Brugia malayi Sodium:neurotransmitter symporter family protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) serotonin transporter b Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
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
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 552 aa 41.5 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 509 aa 28.3 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 605 aa 37.7 %
Onchocerca volvulus Transmembrane protein 120 homolog Serotonin transporter   630 aa 571 aa 31.2 %
Echinococcus multilocularis sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 4 630 aa 574 aa 31.5 %
Brugia malayi Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 30.9 %
Onchocerca volvulus Serotonin transporter   630 aa 611 aa 26.4 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 582 aa 35.2 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Serotonin transporter   630 aa 585 aa 34.2 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Serotonin transporter   630 aa 638 aa 25.1 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Serotonin transporter   630 aa 581 aa 40.1 %
Echinococcus granulosus sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
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 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 31.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0038 0.0574 0.0779
Toxoplasma gondii protein kinase, putative 0.0305 0.6566 1
Echinococcus multilocularis serotonin receptor 0.0159 0.33 1
Plasmodium vivax proline--tRNA ligase, putative 0.0038 0.0574 0.051
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0478 0.1973
Brugia malayi Sugar transporter family protein 0.0015 0.0068 0.0227
Brugia malayi Sugar transporter family protein 0.0015 0.0068 0.0227
Loa Loa (eye worm) hypothetical protein 0.0159 0.33 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.3004 0.9103
Plasmodium falciparum hexose transporter 0.0108 0.2148 0.2094
Loa Loa (eye worm) hypothetical protein 0.0033 0.0469 0.1421
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.2148 0.651
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0268 0.0201
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Schistosoma mansoni glucose transport protein 0.0108 0.2148 0.651
Loa Loa (eye worm) hypothetical protein 0.0025 0.0284 0.086
Onchocerca volvulus 0.0015 0.0068 0.0227
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0268 0.395
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0478 0.1973
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0146 0.3004 0.9103
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.0469 0.0404
Echinococcus multilocularis solute carrier family 22 0.0015 0.0068 0.0206
Schistosoma mansoni sugar transporter 0.0015 0.0068 0.0206
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0284 0.0332
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0478 0.1973
Trypanosoma cruzi hexose transporter 0.0033 0.0478 0.8107
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0268 0.0892
Echinococcus granulosus solute carrier family 22 0.0015 0.0068 0.0206
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0469 0.1421
Plasmodium falciparum amino acid transporter, putative 0.0025 0.0284 0.0217
Treponema pallidum sodium- and chloride- dependent transporter 0.0146 0.3004 0.5
Onchocerca volvulus 0.0025 0.0284 0.0945
Echinococcus granulosus Sugar transporter ERD6 protein 0.0015 0.0068 0.0206
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Schistosoma mansoni sodium-dependent amino acid transporter 0.0025 0.0284 0.086
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0454 0.1511
Trypanosoma brucei glucose transporter, putative 0.0033 0.0478 0.8107
Onchocerca volvulus 0.0015 0.0068 0.0227
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0025 0.0284 0.086
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0478 0.1973
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0146 0.3004 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0478 0.8107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Echinococcus granulosus General substrate transporter 0.0093 0.1808 0.5479
Echinococcus granulosus biogenic amine 5HT receptor 0.0159 0.33 1
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0478 0.8107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Echinococcus multilocularis sodium and chloride dependent glycine 0.0025 0.0284 0.086
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0268 0.0812
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0068 0.0206
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0469 0.7919
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0454 0.9253
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0454 0.1376
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.0574 1
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0284 0.0217
Loa Loa (eye worm) norepinephrine transporter 0.0146 0.3004 0.9103
Loa Loa (eye worm) hypothetical protein 0.0146 0.3004 0.9103
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0478 0.8107
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0478 0.8107
Schistosoma mansoni sodium/chloride dependent transporter 0.0146 0.3004 0.9103
Trypanosoma brucei glucose transporter 2A 0.0033 0.0478 0.8107
Loa Loa (eye worm) hypothetical protein 0.0025 0.0284 0.086
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Onchocerca volvulus 0.0015 0.0068 0.0227
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0108 0.2148 0.651
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0478 0.8107
Trypanosoma brucei glucose transporter 1E 0.0033 0.0478 0.8107
Loa Loa (eye worm) hypothetical protein 0.0032 0.0454 0.1376
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.2148 0.651
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0478 0.1973
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0469 0.1421
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.0469 0.0404
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0469 0.1421
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.0026 0.0078
Onchocerca volvulus 0.0015 0.0068 0.0227
Loa Loa (eye worm) sugar transporter 0.0108 0.2148 0.651
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0454 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0454 0.1376
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0469 0.1421
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0187 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0478 0.8107
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0454 0.1376
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0068 0.0227
Echinococcus multilocularis solute carrier family 22 0.0015 0.0068 0.0206
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0268 0.5182
Schistosoma mansoni hypothetical protein 0.0108 0.2148 0.651
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0454 0.1376
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0574 1
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0268 0.395
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0469 0.1927
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.0469 0.0404
Toxoplasma gondii facilitative glucose transporter GT1 0.0108 0.2148 0.3201
Loa Loa (eye worm) serotonin transporter b 0.0146 0.3004 0.9103
Loa Loa (eye worm) sugar transporter 0.0015 0.0068 0.0206
Loa Loa (eye worm) hypothetical protein 0.0025 0.0284 0.086
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0284 0.0332
Entamoeba histolytica protein kinase, putative 0.0033 0.0469 1
Onchocerca volvulus 0.0015 0.0068 0.0227
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0284 0.0332
Loa Loa (eye worm) hypothetical protein 0.0025 0.0284 0.086
Brugia malayi hypothetical protein 0.0015 0.0068 0.0227
Schistosoma mansoni glucose transporter 0.0015 0.0068 0.0206
Schistosoma mansoni sugar transporter 0.0015 0.0068 0.0206
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0574 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0318 0.0963
Echinococcus multilocularis solute carrier family 22 0.0015 0.0068 0.0206
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0284 0.0945
Brugia malayi major facilitator superfamily protein 0.0015 0.0068 0.0227
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0025 0.0284 0.086
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0478 0.1973
Schistosoma mansoni sugar transporter 0.0015 0.0068 0.0206
Onchocerca volvulus 0.0015 0.0068 0.0227
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0478 0.8107
Loa Loa (eye worm) hypothetical protein 0.0025 0.0284 0.086
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0025 0.0284 0.086
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0454 0.1511
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.0469 0.0404
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0469 0.1421
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0025 0.0284 0.086
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.0469 0.0404
Plasmodium falciparum transporter, putative 0.0025 0.0284 0.0217
Plasmodium vivax amine transporter, putative 0.0025 0.0284 0.0217
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0068 0.0206
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.0469 0.0617
Echinococcus multilocularis serotonin transporter 0.0146 0.3004 0.9103
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0478 0.8107
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0268 0.0812
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0138 0.1383
Onchocerca volvulus 0.0015 0.0068 0.0227
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0284 0.086
Toxoplasma gondii hypothetical protein 0.0025 0.0284 0.0332
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0478 0.8107
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0469 0.1421
Onchocerca volvulus 0.0015 0.0068 0.0227
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0187 1
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0015 0.0068 0.0206
Echinococcus multilocularis General substrate transporter 0.0093 0.1808 0.5479
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0025 0.0284 0.0945
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0469 0.1421
Schistosoma mansoni sugar transporter 0.0015 0.0068 0.0206
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0284 0.086
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0268 0.395
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.2148 0.651
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0174 0.3639 0.5495
Trypanosoma brucei glucose transporter, putative 0.0033 0.0478 0.8107
Leishmania major glucose transporter, lmgt1 0.0033 0.0478 0.8107
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0268 1
Echinococcus multilocularis serotonin receptor 0.0159 0.33 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0284 0.086
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0284 0.086
Brugia malayi Sugar transporter family protein 0.0108 0.2148 0.7152
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0454 0.1376
Brugia malayi major facilitator superfamily protein 0.0015 0.0068 0.0227
Schistosoma mansoni sodium/chloride dependent transporter 0.0027 0.033 0.1001
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0025 0.0284 0.086
Onchocerca volvulus 0.0015 0.0068 0.0227
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0025 0.0284 1
Echinococcus multilocularis solute carrier family 22 0.0015 0.0068 0.0206
Loa Loa (eye worm) solute carrier family 6 member 4 0.0146 0.3004 0.9103
Trypanosoma brucei glucose transporter, putative 0.0033 0.0478 0.8107
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0284 0.0945
Echinococcus granulosus synaptic vesicle 2 protein 0.0015 0.0068 0.0206
Loa Loa (eye worm) hypothetical protein 0.0025 0.0284 0.086
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0268 0.0961
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.2148 1
Plasmodium falciparum protein kinase 7 0.0305 0.6566 0.6542
Schistosoma mansoni protein kinase 0.0033 0.0469 0.1421
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0284 0.086
Onchocerca volvulus 0.0146 0.3004 1
Onchocerca volvulus 0.0015 0.0068 0.0227
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0469 0.1421
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0469 0.1421
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0284 0.0945
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0025 0.0284 0.086
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0015 0.0068 0.0206
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0068 0.5
Schistosoma mansoni glucose transport protein 0.0108 0.2148 0.651
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.0574 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0469 0.1421
Plasmodium falciparum mitogen-activated protein kinase 2 0.0174 0.3639 0.3595
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0025 0.0284 0.086
Onchocerca volvulus 0.0015 0.0068 0.0227
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0025 0.0284 0.086
Schistosoma mansoni glucose transport protein 0.0108 0.2148 0.651
Trypanosoma brucei glucose transporter, putative 0.0033 0.0478 0.8107
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0454 1
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0423 0.1282
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.2148 0.651
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0025 0.0284 0.086
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0478 0.1973
Plasmodium vivax hexose transporter 0.0108 0.2148 0.2094
Loa Loa (eye worm) hypothetical protein 0.0159 0.33 1
Echinococcus granulosus solute carrier family 22 0.0015 0.0068 0.0206
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Brugia malayi hypothetical protein 0.0015 0.0068 0.0227
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.0469 0.0404
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0423 0.1282
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Schistosoma mansoni biogenic amine (5HT) receptor 0.0159 0.33 1
Echinococcus granulosus solute carrier family 22 0.0015 0.0068 0.0206
Onchocerca volvulus 0.0015 0.0068 0.0227
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.2148 0.651
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0068 0.0227
Plasmodium vivax CDK-related protein kinase 6, putative 0.0458 1 1
Brugia malayi hypothetical protein 0.0025 0.0284 0.0945
Schistosoma mansoni protein kinase 0.0033 0.0469 0.1421
Loa Loa (eye worm) hypothetical protein 0.0146 0.3004 0.9103
Echinococcus multilocularis synaptic vesicle 2 protein 0.0015 0.0068 0.0206
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0025 0.0284 0.086
Trypanosoma brucei glucose transporter, putative 0.0033 0.0478 0.8107
Schistosoma mansoni protein kinase 0.0033 0.0469 0.1421
Trypanosoma brucei glucose transporter, putative 0.0033 0.0478 0.8107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0469 0.1421
Loa Loa (eye worm) hypothetical protein 0.0024 0.0268 0.0812
Echinococcus granulosus serotonin transporter 0.0146 0.3004 0.9103
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0068 0.0227
Onchocerca volvulus 0.0015 0.0068 0.0227
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0284 0.086
Schistosoma mansoni sodium/chloride dependent transporter 0.0025 0.0284 0.086
Brugia malayi hypothetical protein 0.0015 0.0068 0.0227
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0174 0.3639 0.3595
Onchocerca volvulus Putative transporter 0.0015 0.0068 0.0227
Onchocerca volvulus 0.0025 0.0284 0.0945
Entamoeba histolytica protein kinase, putative 0.0033 0.0469 1
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0268 0.0812
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0025 0.0284 0.086
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0206
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.2148 0.651
Onchocerca volvulus 0.0015 0.0068 0.0227
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0268 0.0201
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.0469 0.0617
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.2148 0.651
Onchocerca volvulus 0.0025 0.0284 0.0945
Leishmania major glucose transporter, lmgt3 0.0033 0.0478 0.8107
Onchocerca volvulus 0.0015 0.0068 0.0227
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.0469 0.0617
Leishmania major protein kinase, putative 0.0033 0.0469 0.7919
Brugia malayi Cam kinase protein 1 0.0033 0.0469 0.1561
Echinococcus multilocularis sodium and chloride dependent glycine 0.0025 0.0284 0.086
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.0469 0.0404
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0469 0.1561
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0454 0.1855
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.0469 0.0404
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0268 0.3046
Echinococcus granulosus sodium and chloride dependent glycine 0.0025 0.0284 0.086
Onchocerca volvulus 0.0015 0.0068 0.0227
Echinococcus granulosus sodium and chloride dependent glycine 0.0025 0.0284 0.086
Plasmodium falciparum proline--tRNA ligase 0.0038 0.0574 0.051
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0574 1
Leishmania major glucose transporter, lmgt2 0.0033 0.0478 0.8107
Loa Loa (eye worm) hypothetical protein 0.0025 0.0284 0.086
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0268 0.0812
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0268 0.0308
Echinococcus granulosus solute carrier family 22 0.0015 0.0068 0.0206
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.0469 0.0404
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0201 0.0641
Toxoplasma gondii hypothetical protein 0.0025 0.0284 0.0332

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Ability to block 8-OH-DPAT-induced increase of corticosterone in rat serum after 1 hr ChEMBL. 16298130
Activity (functional) 0 Ability to block PCA-induced depletion of 5HT concentration in rat brain afte 2 hrs ChEMBL. 16298130
Activity (functional) = 130 % Increase in 5HT level in Sprague-Dawley rat hypothalamus by microdialysis at 30 mg/kg, po (basal value set at 100%) ChEMBL. 16298130
Emax (functional) = 11.65 % Maximal response as a result of 5-hydroxytryptamine 1A receptor-mediated stimulation of [35S]-GTP-gammaS, binding ChEMBL. 12749894
Emax (functional) = 11.65 % Maximal response as a result of 5-hydroxytryptamine 1A receptor-mediated stimulation of [35S]-GTP-gammaS, binding ChEMBL. 12749894
Inhibition (functional) = 9 % Receptor occupancy ex vivo by inhibition of [3H]8-OH-DPAT binding to 5HT1A receptor in Sprague-Dawley rat frontal cortex tissue at 30 mg/kg, po relative to control ChEMBL. 16298130
Inhibition (functional) = 9 % Receptor occupancy ex vivo by inhibition of [3H]8-OH-DPAT binding to 5HT1A receptor in Sprague-Dawley rat frontal cortex tissue at 30 mg/kg, po relative to control ChEMBL. 16298130
Inhibition (functional) = 13 % Receptor occupancy ex vivo by inhibition of [3H]paroxetine binding to 5HT reuptake site in Sprague-Dawley rat frontal cortex tissue at 30 mg/kg, po relative to control ChEMBL. 16298130
Inhibition (functional) = 13 % Receptor occupancy ex vivo by inhibition of [3H]paroxetine binding to 5HT reuptake site in Sprague-Dawley rat frontal cortex tissue at 30 mg/kg, po relative to control ChEMBL. 16298130
Ki (binding) = 1.99 nM Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand ChEMBL. 12749894
Ki (binding) = 1.99 nM Displacement of [3H]paroxetine from 5HT reuptake site ChEMBL. 16298130
Ki (binding) = 1.99 nM Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand ChEMBL. 12749894
Ki (binding) = 1.99 nM Displacement of [3H]paroxetine from 5HT reuptake site ChEMBL. 16298130
Ki (binding) = 9.31 nM Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand ChEMBL. 12749894
Ki (binding) = 9.31 nM Displacement of [3H]8-OH-DPAT from 5HT1A receptor ChEMBL. 16298130
Ki (binding) = 9.31 nM Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand ChEMBL. 12749894
Ki (binding) = 9.31 nM Displacement of [3H]8-OH-DPAT from 5HT1A receptor ChEMBL. 16298130

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

2 literature references were collected for this gene.

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