Detailed information for compound 447089

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.637 | Formula: C28H32FN3OS
  • H donors: 0 H acceptors: 1 LogP: 5.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc(cc1)C1CN(C)Cc2c1ccc(c2)Oc1ccc(cn1)CN1CCC(CC1)F
  • InChi: 1S/C28H32FN3OS/c1-31-18-22-15-24(6-9-26(22)27(19-31)21-4-7-25(34-2)8-5-21)33-28-10-3-20(16-30-28)17-32-13-11-23(29)12-14-32/h3-10,15-16,23,27H,11-14,17-19H2,1-2H3
  • InChiKey: KWIGMVZMURUWHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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

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
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
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
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) 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 Sodium-dependent dopamine transporter, putative 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 IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) 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) serotonin transporter b 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 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Serotonin transporter   630 aa 581 aa 40.1 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Echinococcus granulosus sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 31.8 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 509 aa 28.3 %
Brugia malayi Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 30.9 %
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 4 630 aa 574 aa 31.5 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 552 aa 41.5 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Serotonin transporter   630 aa 629 aa 47.1 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Serotonin transporter   630 aa 520 aa 36.2 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 605 aa 37.7 %
Echinococcus multilocularis sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Serotonin transporter   630 aa 585 aa 34.2 %
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 %
Onchocerca volvulus Transmembrane protein 120 homolog Serotonin transporter   630 aa 571 aa 31.2 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Serotonin transporter   630 aa 638 aa 25.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0222 0.1166
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0025 0.0036 0.0188
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0037 0.0951
Toxoplasma gondii hypothetical protein 0.0025 0.0036 0.0923
Entamoeba histolytica hypothetical protein 0.0035 0.0127 0.3267
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0128 0.0573
Echinococcus granulosus nmda type glutamate receptor 0.0088 0.0608 0.3199
Loa Loa (eye worm) hypothetical protein 0.0025 0.0036 0.0036
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0036 0.0923
Echinococcus granulosus geminin 0.0164 0.1301 0.6844
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0128 0.0128
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0033 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0025 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0025 0.0036 0.0036
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0025 0.0036 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0036 0.0923
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0128 0.0696
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0266 0.1398
Echinococcus multilocularis nmda type glutamate receptor 0.0091 0.0638 0.3358
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0198 0.1613 0.8489
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0128 0.0573
Onchocerca volvulus 0.0047 0.0236 0.2075
Loa Loa (eye worm) hypothetical protein 0.023 0.1901 0.1901
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0128 0.0573
Leishmania major hypothetical protein, conserved 0.0025 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0128
Loa Loa (eye worm) glutaminase 2 0.0267 0.2238 0.2238
Echinococcus multilocularis geminin 0.0164 0.1301 0.6844
Echinococcus multilocularis sodium and chloride dependent glycine 0.0025 0.0036 0.0188
Entamoeba histolytica prefoldin subunit 6, putative 0.0063 0.0387 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0025 0.0036 0.0188
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0222 0.0222
Brugia malayi MH2 domain containing protein 0.0115 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0572 0.5018 0.5018
Loa Loa (eye worm) hypothetical protein 0.0146 0.114 0.114
Schistosoma mansoni hypothetical protein 0.0047 0.0236 0.0511
Trichomonas vaginalis conserved hypothetical protein 0.0172 0.1379 0.6161
Brugia malayi Metabotropic glutamate receptor precursor. 0.0047 0.0235 0.0235
Loa Loa (eye worm) norepinephrine transporter 0.0146 0.114 0.114
Trypanosoma brucei C-8 sterol isomerase, putative 0.1119 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0063 0.0387 0.0387
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0127 0.0666
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0251 0.0251
Brugia malayi beta-lactamase family protein 0.0035 0.0128 0.0128
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0146 0.114 0.2463
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0036 0.0036
Entamoeba histolytica hypothetical protein 0.0035 0.0127 0.3267
Echinococcus granulosus glutamate receptor 2 0.0036 0.0134 0.0707
Leishmania major C-8 sterol isomerase-like protein 0.1119 1 1
Brugia malayi Subtilase family protein 0.0529 0.4627 0.4627
Echinococcus granulosus prefoldin subunit 6 0.0063 0.0387 0.2038
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0036 0.0923
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1119 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0128 0.0573
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0025 0.0036 0.0036
Echinococcus granulosus survival motor neuron protein 1 0.023 0.1901 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0128 0.0573
Mycobacterium tuberculosis Conserved protein 0.0035 0.0128 0.0696
Echinococcus multilocularis glutamate receptor 2 0.0036 0.0134 0.0707
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0222 0.0222
Brugia malayi glutaminase DH11.1 0.0267 0.2238 0.2238
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0128 0.0277
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0036 0.0077
Toxoplasma gondii hypothetical protein 0.0025 0.0036 0.0923
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0025 0.0036 0.0188
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0266 0.1398
Plasmodium vivax prefoldin subunit 6, putative 0.0063 0.0387 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0037 0.0037
Brugia malayi beta-lactamase family protein 0.0035 0.0128 0.0128
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0128 0.0092
Loa Loa (eye worm) hypothetical protein 0.0146 0.114 0.114
Echinococcus multilocularis metabotropic glutamate receptor 2 0.004 0.0177 0.0932
Toxoplasma gondii ABC1 family protein 0.0035 0.0128 0.3314
Schistosoma mansoni metabotropic glutamate receptor 0.0027 0.0052 0.0112
Onchocerca volvulus 0.0146 0.114 1
Schistosoma mansoni glutamate receptor AMPA 0.0039 0.0165 0.0356
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0251 0.0251
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0165 0.0356
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0036 0.0077
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0025 0.0036 0.0188
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0222 0.1166
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0036 0.0077
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0025 0.0036 0.0188
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0266 0.1398
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.086 0.086
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0093 0.0653 0.3434
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0177 0.1423 0.1423
Trypanosoma cruzi prefoldin subunit, putative 0.0063 0.0387 0.0352
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.1844 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0036 0.0036
Schistosoma mansoni hypothetical protein 0.0035 0.0127 0.0274
Schistosoma mansoni glutamate receptor NMDA 0.0093 0.0653 0.1411
Onchocerca volvulus 0.0035 0.0128 0.1126
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0025 0.0036 0.0188
Toxoplasma gondii prefoldin subunit 6, putative 0.0063 0.0387 1
Plasmodium falciparum prefoldin subunit 6, putative 0.0063 0.0387 1
Echinococcus granulosus serotonin transporter 0.0146 0.114 0.5996
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0025 0.0036 0.0077
Loa Loa (eye worm) hypothetical protein 0.0177 0.1423 0.1423
Schistosoma mansoni glutamate receptor NMDA 0.0127 0.0963 0.2081
Loa Loa (eye worm) hypothetical protein 0.0025 0.0036 0.0036
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0198 0.1613 0.8489
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0128 0.0696
Giardia lamblia Hypothetical protein 0.0063 0.0387 0.5
Loa Loa (eye worm) hypothetical protein 0.1119 1 1
Brugia malayi hypothetical protein 0.0035 0.0127 0.0127
Onchocerca volvulus 0.0035 0.0128 0.1126
Onchocerca volvulus 0.0025 0.0036 0.0314
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0128 0.0696
Leishmania major hypothetical protein, conserved 0.0035 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0128
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0529 0.4627 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0036 0.0077
Trypanosoma brucei prefoldin subunit, putative 0.0063 0.0387 0.0352
Trypanosoma cruzi prefoldin subunit, putative 0.0063 0.0387 0.0352
Schistosoma mansoni hypothetical protein 0.0063 0.0387 0.0837
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0128
Brugia malayi KE2 family protein 0.0063 0.0387 0.0387
Schistosoma mansoni sodium/chloride dependent transporter 0.0025 0.0036 0.0077
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0037 0.0951
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0127 0.0666
Echinococcus multilocularis nmda type glutamate receptor 0.0088 0.0608 0.3199
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0025 0.0036 0.0188
Plasmodium falciparum transporter, putative 0.0025 0.0036 0.0923
Echinococcus granulosus sodium and chloride dependent glycine 0.0025 0.0036 0.0188
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0222 0.0479
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.1901 1
Loa Loa (eye worm) subtilase 0.0529 0.4627 0.4627
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0222 0.0479
Schistosoma mansoni sodium-dependent amino acid transporter 0.0025 0.0036 0.0077
Echinococcus granulosus glutamate NMDA receptor subunit 0.0093 0.0653 0.3434
Schistosoma mansoni sodium/chloride dependent transporter 0.0025 0.0036 0.0077
Echinococcus granulosus metabotropic glutamate receptor 5 0.0056 0.0318 0.1672
Echinococcus multilocularis glutamate receptor NMDA 0.0077 0.0507 0.2667
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0025 0.0036 0.0036
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.005 0.0266 0.1398
Loa Loa (eye worm) hypothetical protein 0.0025 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0146 0.114 0.114
Trichomonas vaginalis esterase, putative 0.0035 0.0128 0.0573
Loa Loa (eye worm) glutamate receptor 1 0.0039 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0128
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0036 0.0923
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0266 0.1398
Loa Loa (eye worm) serotonin transporter b 0.0146 0.114 0.114
Echinococcus granulosus glutamate receptor 2 0.005 0.0266 0.1398
Echinococcus granulosus metabotropic glutamate receptor 2 0.004 0.0177 0.0932
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0128 0.0092
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0127 0.0274
Loa Loa (eye worm) glutamate receptor 0.0047 0.0235 0.0235
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0111 0.0111
Entamoeba histolytica hypothetical protein 0.0035 0.0127 0.3267
Treponema pallidum sodium- and chloride- dependent transporter 0.0146 0.114 0.5
Schistosoma mansoni survival motor neuron protein 0.0047 0.0236 0.0511
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0025 0.0036 0.0036
Echinococcus multilocularis glutamate receptor 2 0.0039 0.0165 0.0867
Mycobacterium tuberculosis Conserved protein 0.0035 0.0128 0.0696
Echinococcus multilocularis sodium and chloride dependent glycine 0.0025 0.0036 0.0188
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0266 0.1398
Loa Loa (eye worm) hypothetical protein 0.0056 0.0318 0.0318
Onchocerca volvulus 0.0035 0.0128 0.1126
Mycobacterium leprae Probable lipase LipE 0.0035 0.0128 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0111 0.0241
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0056 0.0318 0.1672
Leishmania major prefoldin subunit, putative 0.0063 0.0387 0.0387
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0128 0.0128
Brugia malayi Glutamate receptor 1 precursor 0.0039 0.0165 0.0165
Plasmodium vivax amine transporter, putative 0.0025 0.0036 0.0923
Brugia malayi hypothetical protein 0.0025 0.0037 0.0037
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0128 0.0092
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0146 0.114 0.114
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0128 0.5
Brugia malayi hypothetical protein 0.023 0.1901 0.1901
Echinococcus granulosus nmda type glutamate receptor 0.0091 0.0638 0.3358
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0165 0.0356
Schistosoma mansoni hypothetical protein 0.0164 0.1301 0.2812
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0222 0.1166
Mycobacterium ulcerans glutaminase 0.0267 0.2238 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0128 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0222 0.0479
Loa Loa (eye worm) glutamate receptor 2 0.0039 0.0165 0.0165
Schistosoma mansoni sodium/chloride dependent transporter 0.0146 0.114 0.2463
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0036 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0387 0.1731
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.005 0.0266 0.1398
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0025 0.0036 0.0077
Brugia malayi metabotropic glutamate receptor type 2 0.0027 0.0052 0.0052
Schistosoma mansoni glutaminase 0.0267 0.2238 0.4838
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0222 0.1166
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0236 0.0236
Onchocerca volvulus 0.0025 0.0036 0.0314
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0128 0.0696
Schistosoma mansoni glutamate receptor AMPA 0.0039 0.0165 0.0356
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0037 0.0951
Brugia malayi hypothetical protein 0.0025 0.0036 0.0036
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0128 0.0696
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0025 0.0036 0.0036
Brugia malayi Cytochrome P450 family protein 0.0026 0.0045 0.0045
Onchocerca volvulus 0.0025 0.0036 0.0314
Echinococcus multilocularis prefoldin subunit 6 0.0063 0.0387 0.2038
Echinococcus multilocularis glutamate receptor 2 0.005 0.0266 0.1398
Schistosoma mansoni metabotropic glutamate receptor 0.004 0.0177 0.0383
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0128
Trichomonas vaginalis glutaminase, putative 0.0267 0.2238 1
Brugia malayi beta-lactamase 0.0035 0.0128 0.0128
Mycobacterium tuberculosis Conserved protein 0.0035 0.0128 0.0696
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0165 0.0356
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0036 0.0077
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0025 0.0036 0.0188
Echinococcus granulosus glutamate receptor NMDA 0.0077 0.0507 0.2667
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0251 0.0251
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0036 0.0077
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0266 0.1398
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0128 0.0675
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0128 0.0277
Schistosoma mansoni hypothetical protein 0.0164 0.1301 0.2812
Entamoeba histolytica hypothetical protein 0.0035 0.0127 0.3267
Schistosoma mansoni ATP-binding cassette transporter 0.0039 0.0167 0.0361
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0128 0.0696
Echinococcus multilocularis serotonin transporter 0.0146 0.114 0.5996
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0128 0.3314
Brugia malayi Glutamate receptor 2 precursor 0.0039 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0048 0.0251 0.0251
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0128 0.0675
Loa Loa (eye worm) solute carrier family 6 member 4 0.0146 0.114 0.114
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.0217 0.0469
Plasmodium falciparum amino acid transporter, putative 0.0025 0.0036 0.0923
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0037 0.0951
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0045 0.0045
Loa Loa (eye worm) glutaminase 0.0267 0.2238 0.2238
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0128 0.0696

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.5 nM Binding affinity at human SERT ChEMBL. 17765543
Ki (binding) = 6.5 nM Binding affinity at human SERT ChEMBL. 17765543
Ki (binding) = 14.3 nM Binding affinity at rat SERT ChEMBL. 17765543
Ki (binding) = 14.3 nM Binding affinity at rat SERT ChEMBL. 17765543
Ki (binding) = 110 nM Binding affinity at human histamine H3 ChEMBL. 17765543
Ki (binding) = 110 nM Binding affinity at human histamine H3 ChEMBL. 17765543

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.