Detailed information for compound 20682

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.567 | Formula: C26H26FN3O2S
  • H donors: 1 H acceptors: 2 LogP: 4.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)c(c[nH]2)CC1CCN(CC1)CCN1c2cccc3c2c(S1(=O)=O)ccc3
  • InChi: 1S/C26H26FN3O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2
  • InChiKey: AEXVRZSWDPHQBS-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 D2 receptor Starlite/ChEMBL References
Rattus norvegicus Adrenergic receptor alpha-1 Starlite/ChEMBL References
Rattus norvegicus Serotonin 2 (5-HT2) receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Treponema pallidum sodium- and chloride- dependent transporter 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) norepinephrine 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 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
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) 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
Loa Loa (eye worm) solute carrier family 6 member 4 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 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) serotonin transporter b 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 ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 509 aa 28.3 %
Schistosoma mansoni amine GPCR Dopamine D2 receptor   444 aa 424 aa 32.1 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 552 aa 41.5 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 31.8 %
Onchocerca volvulus Serotonin transporter   630 aa 611 aa 26.4 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Serotonin transporter   630 aa 629 aa 47.1 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
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 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D2 receptor   444 aa 432 aa 30.8 %
Echinococcus multilocularis sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Onchocerca volvulus Transmembrane protein 120 homolog Serotonin transporter   630 aa 571 aa 31.2 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Loa Loa (eye worm) hypothetical protein Dopamine D2 receptor   444 aa 433 aa 21.2 %
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 biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Onchocerca volvulus Dopamine D2 receptor   444 aa 418 aa 23.0 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D2 receptor   444 aa 476 aa 24.2 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 2 (5-HT2) receptor   460 aa 408 aa 20.8 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Echinococcus granulosus g protein coupled receptor Serotonin 2 (5-HT2) receptor   460 aa 409 aa 21.8 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 2 (5-HT2) receptor   460 aa 405 aa 31.1 %
Echinococcus multilocularis g protein coupled receptor Serotonin 2 (5-HT2) receptor   460 aa 409 aa 21.5 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D2 receptor   444 aa 440 aa 30.0 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Brugia malayi Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 30.9 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Serotonin transporter   630 aa 585 aa 34.2 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 605 aa 37.7 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Serotonin transporter   630 aa 520 aa 36.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nAChR subunit 0.0173 0.3012 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.008 0.1143 0.3181
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0173 0.3012 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.008 0.1143 0.0896
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.008 0.1143 0.3181
Entamoeba histolytica hypothetical protein 0.0093 0.1411 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.1411 0.4686
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0173 0.3012 0.2817
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.008 0.1143 0.3794
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) norepinephrine transporter 0.0073 0.101 0.3352
Brugia malayi hypothetical protein 0.008 0.1143 0.3181
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.008 0.1143 0.0896
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0173 0.3012 0.2817
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0173 0.3012 1
Schistosoma mansoni tyrosine kinase 0.0046 0.047 0.0728
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Schistosoma mansoni neurotransmitter gated ion channel 0.008 0.1143 0.3181
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0173 0.3012 0.2817
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0173 0.3012 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0173 0.3012 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0173 0.3012 1
Echinococcus multilocularis epidermal growth factor receptor 0.0078 0.1103 0.0855
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.008 0.1143 0.3181
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0173 0.3012 0.2817
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0173 0.3012 0.2817
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Brugia malayi Furin-like cysteine rich region family protein 0.0144 0.2446 0.7937
Onchocerca volvulus 0.0173 0.3012 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0036 0.0271 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.008 0.1143 0.0896
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.008 0.1143 0.0896
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0173 0.3012 1
Schistosoma mansoni tyrosine kinase 0.0144 0.2446 0.7937
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0093 0.1411 0.4161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) LGC-31 protein 0.0173 0.3012 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0173 0.3012 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0173 0.3012 1
Schistosoma mansoni nAChR subunit 0.008 0.1143 0.3181
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) acetylcholine receptor protein 0.008 0.1143 0.3794
Trypanosoma cruzi hypothetical protein, conserved 0.0182 0.32 1
Echinococcus granulosus nAChR subunit 0.0093 0.1411 0.1172
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0173 0.3012 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0173 0.3012 0.2817
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0173 0.3012 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0173 0.3012 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0036 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.008 0.1143 0.3181
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0173 0.3012 0.2817
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0173 0.3012 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0271 1
Echinococcus multilocularis nAChR subunit 0.0093 0.1411 0.1172
Onchocerca volvulus 0.008 0.1143 0.0665
Loa Loa (eye worm) hypothetical protein 0.0093 0.1411 0.4686
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0173 0.3012 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.052 1 1
Onchocerca volvulus 0.008 0.1143 0.0665
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Onchocerca volvulus 0.0093 0.1411 0.2007
Echinococcus multilocularis serotonin transporter 0.0073 0.101 0.0759
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Schistosoma mansoni nAChR subunit 0.0173 0.3012 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.008 0.1143 0.3794
Toxoplasma gondii target of rapamycin (TOR), putative 0.0036 0.0271 1
Brugia malayi Cation transporter family protein 0.0173 0.3012 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0173 0.3012 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0173 0.3012 0.2817
Schistosoma mansoni nAChR subunit 0.0173 0.3012 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0173 0.3012 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0073 0.101 0.3352
Loa Loa (eye worm) hypothetical protein 0.0093 0.1411 0.4686
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0036 0.0271 1
Loa Loa (eye worm) ACC-1 protein 0.0173 0.3012 1
Schistosoma mansoni nAChR subunit 0.0173 0.3012 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.1411 0.4686
Echinococcus granulosus glycine receptor subunit beta 0.0173 0.3012 0.2817
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0173 0.3012 0.2817
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.008 0.1143 0.3181
Treponema pallidum sodium- and chloride- dependent transporter 0.0073 0.101 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0173 0.3012 1
Echinococcus granulosus serotonin transporter 0.0073 0.101 0.0759
Echinococcus multilocularis glycine receptor subunit beta 0.0173 0.3012 0.2817
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0073 0.101 0.2695
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Schistosoma mansoni nAChR subunit 0.0173 0.3012 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0093 0.1411 0.4161
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.008 0.1143 0.0896
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0173 0.3012 1
Onchocerca volvulus 0.008 0.1143 0.0665
Onchocerca volvulus 0.0173 0.3012 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0093 0.1411 0.4161
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0173 0.3012 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Schistosoma mansoni tyrosine kinase 0.0077 0.1086 0.2975
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0173 0.3012 1
Echinococcus multilocularis insulin receptor 0.0046 0.047 0.0205
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0093 0.1411 0.4161
Loa Loa (eye worm) TK/EGFR protein kinase 0.0144 0.2446 0.8123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Onchocerca volvulus 0.0093 0.1411 0.2007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) GABA receptor subunit 0.0093 0.1411 0.4686
Schistosoma mansoni tyrosine kinase 0.0077 0.1086 0.2975
Echinococcus multilocularis glycine receptor subunit beta 0.0173 0.3012 0.2817
Echinococcus granulosus glycine receptor subunit beta 0.0173 0.3012 0.2817
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0046 0.047 0.0205
Onchocerca volvulus 0.0173 0.3012 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0173 0.3012 1
Echinococcus granulosus nAChR subunit 0.0173 0.3012 0.2817
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0173 0.3012 1
Echinococcus granulosus epidermal growth factor receptor 0.0078 0.1103 0.0855
Loa Loa (eye worm) hypothetical protein 0.0093 0.1411 0.4686
Schistosoma mansoni sodium/chloride dependent transporter 0.0073 0.101 0.2695
Brugia malayi Protein kinase domain containing protein 0.0046 0.047 0.0728
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0173 0.3012 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0173 0.3012 0.2817
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0173 0.3012 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0173 0.3012 0.2817
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0173 0.3012 0.2817
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0173 0.3012 0.2817
Loa Loa (eye worm) TK/INSR protein kinase 0.0046 0.047 0.1561
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Schistosoma mansoni acetylcholine receptor subunit beta 0.008 0.1143 0.3181
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.008 0.1143 0.3181
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0046 0.047 0.0205
Onchocerca volvulus 0.0173 0.3012 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0173 0.3012 0.2817
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0173 0.3012 0.2817
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Schistosoma mansoni tyrosine kinase 0.0078 0.1103 0.3035
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0173 0.3012 0.2817
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0036 0.0271 0.0899
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Brugia malayi hypothetical protein 0.008 0.1143 0.3181
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0173 0.3012 0.2817
Echinococcus granulosus glycine receptor subunit alpha 1 0.0173 0.3012 0.2817
Loa Loa (eye worm) serotonin transporter b 0.0073 0.101 0.3352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Onchocerca volvulus 0.0173 0.3012 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0173 0.3012 0.2817
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0173 0.3012 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0173 0.3012 1
Schistosoma mansoni tyrosine kinase 0.0077 0.1086 0.2975
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0173 0.3012 1
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0093 0.1411 0.4161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0036 0.0271 0.0899
Loa Loa (eye worm) hypothetical protein 0.0093 0.1411 0.4686
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Schistosoma mansoni nAChR subunit 0.008 0.1143 0.3181
Leishmania major hypothetical protein, conserved 0.0189 0.334 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.1411 0.4686
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0173 0.3012 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0078 0.1103 0.0855
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Loa Loa (eye worm) ACC-1 protein 0.0173 0.3012 1
Brugia malayi Cation transporter family protein 0.0173 0.3012 1
Schistosoma mansoni neurotransmitter gated ion channel 0.008 0.1143 0.3181
Onchocerca volvulus 0.0173 0.3012 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Schistosoma mansoni tyrosine kinase 0.0078 0.1103 0.3035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Echinococcus granulosus epidermal growth factor receptor 0.0144 0.2446 0.2236
Brugia malayi hypothetical protein 0.008 0.1143 0.3181
Brugia malayi hypothetical protein 0.008 0.1143 0.3181
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0173 0.3012 0.2817
Echinococcus granulosus glycine receptor subunit alpha 1 0.0173 0.3012 0.2817
Schistosoma mansoni nAChR subunit 0.0173 0.3012 1
Schistosoma mansoni acetylcholine receptor-related 0.008 0.1143 0.3181
Giardia lamblia GTOR 0.0036 0.0271 0.5
Loa Loa (eye worm) hypothetical protein 0.008 0.1143 0.3794
Loa Loa (eye worm) hypothetical protein 0.0093 0.1411 0.4686
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0173 0.3012 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0093 0.1411 0.4161
Echinococcus multilocularis 0.0045 0.0441 0.0175
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0036 0.0271 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.1411 0.4686
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0093 0.1411 0.4161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Brugia malayi hypothetical protein 0.008 0.1143 0.3181
Echinococcus multilocularis nAChR subunit 0.0173 0.3012 0.2817
Loa Loa (eye worm) hypothetical protein 0.0073 0.101 0.3352
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0271 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0073 0.101 0.2695
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Schistosoma mansoni nAChR subunit 0.0173 0.3012 1
Echinococcus multilocularis epidermal growth factor receptor 0.0144 0.2446 0.2236
Loa Loa (eye worm) hypothetical protein 0.0073 0.101 0.3352
Loa Loa (eye worm) hypothetical protein 0.0073 0.101 0.3352
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0173 0.3012 1
Onchocerca volvulus Putative nachr subunit 0.0173 0.3012 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.3012 1
Brugia malayi Cation transporter family protein 0.0173 0.3012 1
Schistosoma mansoni tyrosine kinase 0.0046 0.047 0.0728
Echinococcus granulosus insulin receptor 0.0046 0.047 0.0205

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.4 nM Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake ChEMBL. 8487257
IC50 (binding) = 0.4 nM Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake ChEMBL. 8487257
IC50 (binding) = 16 nM Binding affinity at 5-hydroxytryptamine 2 receptor by the inhibition of binding to [3H]-ketanserin in rat cortical membranes ChEMBL. 8487257
IC50 (binding) = 16 nM Binding affinity at 5-hydroxytryptamine 2 receptor by the inhibition of binding to [3H]-ketanserin in rat cortical membranes ChEMBL. 8487257
IC50 (binding) > 100 nM Binding affinity at alpha1-adrenoreceptor by the inhibition of binding to [3H]-prazosin in rat cortical membranes ChEMBL. 8487257
IC50 (binding) > 100 nM Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]-spiperone in rat striatal membranes ChEMBL. 8487257
IC50 (binding) > 100 nM Binding affinity at alpha1-adrenoreceptor by the inhibition of binding to [3H]-prazosin in rat cortical membranes ChEMBL. 8487257
IC50 (binding) > 100 nM Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]-spiperone in rat striatal membranes ChEMBL. 8487257

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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