Detailed information for compound 926363

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.415 | Formula: C21H23F3N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(CC1)NC(=O)c1ccc(cc1)COc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C21H23F3N2O2/c1-26-12-10-18(11-13-26)25-20(27)16-4-2-15(3-5-16)14-28-19-8-6-17(7-9-19)21(22,23)24/h2-9,18H,10-14H2,1H3,(H,25,27)
  • InChiKey: IVOIYPHGIHJNMU-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
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 5 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_128673 All targets in OG5_128673
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium-dependent proline transporter, putative Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium- and chloride-dependent glycine transporter 1, putative Get druggable targets OG5_128673 All targets in OG5_128673
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128673 All targets in OG5_128673
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus granulosus sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium- and chloride-dependent glycine transporter 1, putative Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus granulosus sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus multilocularis sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus multilocularis sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0254 0.2344 0.8713
Schistosoma mansoni hypothetical protein 0.0041 0.0235 0.0296
Schistosoma mansoni lamin 0.006 0.0419 0.0537
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0063 0.0453 0.0444
Giardia lamblia Kinase, CMGC MAPK 0.0058 0.0405 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0832 0.1077
Echinococcus multilocularis transcription factor Dp 1 0.0044 0.026 0.0251
Brugia malayi hypothetical protein 0.0023 0.0051 0.0188
Loa Loa (eye worm) hypothetical protein 0.006 0.0419 0.1524
Brugia malayi intermediate filament protein 0.006 0.0419 0.1559
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0019 0.0011 0.0056
Entamoeba histolytica hypothetical protein 0.0041 0.0235 0.3792
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0019 0.0011 0.0002
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0129 0.1101 0.4037
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.0773 0.1
Loa Loa (eye worm) dTDP-4-dehydrorhamnose 3,5-epimerase 0.0289 0.2689 1
Echinococcus granulosus lamin dm0 0.006 0.0419 0.0411
Trypanosoma brucei pyruvate kinase 1 0.0036 0.0182 0.282
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0019 0.0011 0.0003
Loa Loa (eye worm) hypothetical protein 0.0029 0.0113 0.038
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0019 0.0011 0.0003
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0235 0.0226
Echinococcus granulosus sodium and chloride dependent glycine 0.0096 0.0773 0.0765
Entamoeba histolytica hypothetical protein 0.0041 0.0235 0.3792
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0025 0.0076 0.0183
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0832 0.0823
Onchocerca volvulus 0.006 0.0419 0.1524
Onchocerca volvulus 0.006 0.0419 0.1524
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0027 0.01
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0027 0.0018
Toxoplasma gondii exonuclease III APE 0.002 0.0027 0.0453
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0182 0.0636
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0095 0.124
Loa Loa (eye worm) hypothetical protein 0.0027 0.0095 0.0313
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0144 0.3419
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0019 0.0011 0.0002
Schistosoma mansoni sodium-dependent amino acid transporter 0.0019 0.0011 0.0003
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0076 0.3857
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.0405 0.6888
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0095 0.4979
Brugia malayi Pre-SET motif family protein 0.0032 0.0144 0.0537
Echinococcus multilocularis lamin 0.006 0.0419 0.0411
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0019 0.0011 0.0003
Echinococcus multilocularis serotonin transporter 0.0019 0.0011 0.0002
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0374 0.139
Mycobacterium ulcerans pyruvate kinase 0.0036 0.0182 0.0581
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0076 0.3857
Echinococcus granulosus microtubule associated protein 2 0.0789 0.7649 0.7646
Echinococcus multilocularis lamin dm0 0.006 0.0419 0.0411
Loa Loa (eye worm) hypothetical protein 0.0028 0.0102 0.0339
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0011 0.0042
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0011 0.0042
Echinococcus granulosus transcription factor Dp 1 0.0044 0.026 0.0251
Brugia malayi hypothetical protein 0.0131 0.1129 0.4198
Schistosoma mansoni ap endonuclease 0.002 0.0027 0.0023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0144 0.0177
Onchocerca volvulus 0.0032 0.0144 0.0497
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0182 0.0636
Brugia malayi dTDP-4-dehydrorhamnose 3,5-epimerase 0.0289 0.2689 1
Onchocerca volvulus 0.0023 0.0051 0.0147
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0027 0.0018
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0089 0.0711 0.2643
Mycobacterium leprae Probable pyruvate kinase PykA 0.0036 0.0182 0.0406
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0076 0.0575 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0058 0.0405 0.1469
Plasmodium vivax SET domain protein, putative 0.0032 0.0144 0.784
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0144 0.0135
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0144 0.0177
Echinococcus granulosus pyruvate kinase 0.0036 0.0182 0.0173
Mycobacterium leprae dTDP-6-deoxy-L-lyxo-4-hexulose reductase RmlD (dTDP-RHAMNOSE MODIFICATION PROTEIN) (dTDP-RHAMNOSE BIOSYNTHESIS PROTEIN) (dTDP-RH 0.016 0.1414 0.5123
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.0405 0.0396
Leishmania major phosphopantetheinyl transferase-like protein 0.0025 0.0076 0.0887
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0235 0.0226
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0182 0.282
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0051 0.0147
Schistosoma mansoni microtubule-associated protein tau 0.0789 0.7649 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.087 0.8444 0.8442
Brugia malayi Doublecortin family protein 0.0023 0.0051 0.0188
Schistosoma mansoni pyruvate kinase 0.0036 0.0182 0.0226
Giardia lamblia Pyruvate kinase 0.0036 0.0182 0.4361
Trichomonas vaginalis DTDP-4-dehydrorhamnose 3,5-epimerase, putative 0.0289 0.2689 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0711 0.2612
Schistosoma mansoni hypothetical protein 0.0055 0.0374 0.0477
Chlamydia trachomatis pyruvate kinase 0.0036 0.0182 1
Onchocerca volvulus Huntingtin homolog 0.0131 0.1129 0.4174
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0076 0.0575 0.0567
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0025 0.0076 0.1682
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0405 0.0518
Trichomonas vaginalis set domain proteins, putative 0.0254 0.2344 0.8705
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0058 0.0405 0.6888
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0051 0.2408
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0231 0.212 0.7864
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0133 0.0124
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0182 0.0675
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0019 0.0011 0.0056
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0089 0.0711 0.0918
Loa Loa (eye worm) hypothetical protein 0.0271 0.2507 0.9322
Echinococcus granulosus mitogen activated protein kinase 0.0058 0.0405 0.0396
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0832 0.0823
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0095 0.4979
Echinococcus granulosus pyruvate kinase 0.0036 0.0182 0.0173
Toxoplasma gondii hypothetical protein 0.0019 0.0011 0.0056
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0051 0.0042
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0019 0.0011 0.0003
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0182 0.0636
Echinococcus granulosus survival motor neuron protein 1 0.0271 0.2507 0.2501
Schistosoma mansoni lamin 0.006 0.0419 0.0537
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0076 0.0575 0.2107
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0182 0.0581
Leishmania major pyruvate kinase 0.0036 0.0182 0.282
Wolbachia endosymbiont of Brugia malayi nucleoside-diphosphate-sugar epimerase 0.0071 0.0533 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.2039 0.7572
Toxoplasma gondii hypothetical protein 0.0019 0.0011 0.0056
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0019 0.0011 0.0003
Mycobacterium ulcerans dTDP-6-deoxy-L-lyxo-4-hexulose reductase RmlD 0.0231 0.212 0.7864
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0019 0.0011 0.0002
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0096 0.0773 0.2876
Loa Loa (eye worm) hypothetical protein 0.0131 0.1129 0.4174
Plasmodium falciparum pyruvate kinase 0.0036 0.0182 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0773 0.2846
Schistosoma mansoni pyruvate kinase 0.0036 0.0182 0.0226
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0019 0.0011 0.0002
Echinococcus granulosus L aminoadipate semialdehyde 0.0089 0.0711 0.0702
Leishmania major pyruvate kinase 0.0036 0.0182 0.282
Brugia malayi Intermediate filament tail domain containing protein 0.006 0.0419 0.1559
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0144 0.0177
Schistosoma mansoni polycystin 1-related 0.0023 0.0051 0.0054
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.0575 1
Schistosoma mansoni loxhd1 0.0023 0.0051 0.0054
Entamoeba histolytica pyruvate kinase, putative 0.0025 0.0074 0.0864
Plasmodium vivax hypothetical protein, conserved 0.0019 0.0011 0.0128
Loa Loa (eye worm) hypothetical protein 0.0023 0.0051 0.0147
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0019 0.0011 0.0002
Echinococcus multilocularis pyruvate kinase 0.0036 0.0182 0.0173
Echinococcus multilocularis sodium and chloride dependent glycine 0.0096 0.0773 0.0765
Echinococcus multilocularis neuropeptide receptor A26 0.1027 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0063 0.0453 0.0444
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0095 0.2171
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0025 0.0076 0.3777
Echinococcus granulosus serotonin transporter 0.0019 0.0011 0.0002
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0076 0.0575 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0019 0.0011 0.0003
Loa Loa (eye worm) hypothetical protein 0.0028 0.0102 0.0339
Schistosoma mansoni rab6-interacting 0.0023 0.0051 0.0054
Brugia malayi cytoplasmic intermediate filament protein 0.0032 0.0144 0.0537
Loa Loa (eye worm) hypothetical protein 0.0023 0.0051 0.0147
Mycobacterium tuberculosis dTDP-4-dehydrorhamnose 3,5-epimerase RmlC (dTDP-4-keto-6-deoxyglucose 3,5-epimerase) (dTDP-L-rhamnose synthetase) (thymidine dip 0.0289 0.2689 1
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0405 0.1419
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0051 0.0042
Echinococcus multilocularis microtubule associated protein 2 0.0789 0.7649 0.7646
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0019 0.0011 0.0056
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0096 0.0773 0.2846
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0058 0.0405 0.6888
Onchocerca volvulus 0.0289 0.2689 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0182 0.0636
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0019 0.0011 0.0002
Echinococcus multilocularis L aminoadipate semialdehyde 0.0089 0.0711 0.0702
Loa Loa (eye worm) hypothetical protein 0.0096 0.0773 0.2846
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0025 0.0076 0.0183
Schistosoma mansoni survival motor neuron protein 0.0055 0.0374 0.0477
Echinococcus multilocularis survival motor neuron protein 1 0.0271 0.2507 0.2501
Brugia malayi MAP kinase sur-1 0.0058 0.0405 0.1505
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0144 0.0135
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0076 0.0575 0.0741
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0058 0.0405 0.6888
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0182 0.0581
Entamoeba histolytica hypothetical protein 0.0041 0.0235 0.3792
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.0051 0.2408
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.006 0.0419 0.1524
Schistosoma mansoni rab6-interacting 0.0023 0.0051 0.0054
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0025 0.0076 0.0183
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.0405 0.0396
Onchocerca volvulus 0.0089 0.0711 0.2612
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0019 0.0011 0.0002
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0025 0.0076 1
Echinococcus multilocularis neuropeptide s receptor 0.1027 1 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1129 0.4174
Brugia malayi hypothetical protein 0.0023 0.0051 0.0188
Plasmodium falciparum amino acid transporter, putative 0.0019 0.0011 0.0128
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.0832 0.3064
Echinococcus granulosus sodium and chloride dependent glycine 0.0096 0.0773 0.0765
Mycobacterium ulcerans dTDP-4-dehydrorhamnose 3,5-epimerase, RmlC 0.0289 0.2689 1
Onchocerca volvulus Huntingtin homolog 0.0131 0.1129 0.4174
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0832 0.0823
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.0575 1
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0051 0.0042
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0235 0.0296
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0182 0.0636
Echinococcus granulosus lamin 0.006 0.0419 0.0411
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0058 0.0405 0.6888
Loa Loa (eye worm) hypothetical protein 0.0059 0.0408 0.1484
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.0575 1
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0405 0.1419
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0025 0.0076 0.1682
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.0779 0.1007
Schistosoma mansoni lipoxygenase 0.0023 0.0051 0.0054
Echinococcus multilocularis sodium and chloride dependent glycine 0.0096 0.0773 0.0765
Echinococcus granulosus neuropeptide receptor A26 0.1027 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0144 0.0177
Echinococcus multilocularis RUN 0.0023 0.0051 0.0042
Loa Loa (eye worm) intermediate filament protein 0.006 0.0419 0.1524
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.0182 0.4361
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0076 0.0887
Brugia malayi hypothetical protein 0.0041 0.0235 0.0873
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0095 0.124
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0036 0.0182 0.0581
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0027 0.1038
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0011 0.0042
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0051 0.0042
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0182 0.0636
Entamoeba histolytica hypothetical protein 0.0025 0.0076 0.0887
Plasmodium falciparum transporter, putative 0.0019 0.0011 0.0128
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0058 0.0405 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0058 0.0405 0.6888
Mycobacterium tuberculosis dTDP-6-deoxy-L-lyxo-4-hexulose reductase RmlD (dTDP-rhamnose modification protein) (dTDP-rhamnose biosynthesis protein) (dTDP-rh 0.0231 0.212 0.7864
Plasmodium vivax pyruvate kinase, putative 0.0036 0.0182 1
Plasmodium vivax amine transporter, putative 0.0019 0.0011 0.0128
Schistosoma mansoni sodium/chloride dependent transporter 0.0019 0.0011 0.0003
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0027 0.0453
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0025 0.0076 0.0961
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.0405 0.6888
Loa Loa (eye worm) pyruvate kinase-PB 0.0025 0.0074 0.0236
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0182 0.282
Schistosoma mansoni hypothetical protein 0.0023 0.0051 0.0054
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.0182 0.282
Brugia malayi Pre-SET motif family protein 0.0223 0.2039 0.7582
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.0832 0.3093
Trichomonas vaginalis conserved hypothetical protein 0.0289 0.2689 1
Echinococcus granulosus intermediate filament protein 0.006 0.0419 0.0411
Echinococcus granulosus RUN 0.0023 0.0051 0.0042
Brugia malayi hypothetical protein 0.0019 0.0011 0.0042
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0019 0.0011 0.0042
Onchocerca volvulus 0.0055 0.0374 0.1354
Echinococcus multilocularis pyruvate kinase 0.0028 0.0107 0.0098
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0027 0.2439
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0144 0.0135
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0027 0.1038
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0029 0.0113 0.0104
Onchocerca volvulus 0.0023 0.0051 0.0147
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0019 0.0011 0.0003
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0027 0.0059
Echinococcus multilocularis pyruvate kinase 0.0036 0.0182 0.0173
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0405 0.1419
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0076 0.0575 0.0567
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0032 0.0144 0.0497
Brugia malayi follicle stimulating hormone receptor 0.027 0.2504 0.9314
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0051 0.0042
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0019 0.0011 0.0003
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0095 0.4979
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0832 0.1077
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0076 0.0575 0.214
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0182 0.0636
Schistosoma mansoni lipoxygenase 0.0063 0.0453 0.0581
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0019 0.0011 0.0003
Echinococcus multilocularis musashi 0.006 0.0419 0.0411
Loa Loa (eye worm) hypothetical protein 0.0032 0.0144 0.0497
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0029 0.0113 0.0104
Echinococcus granulosus mitogen activated protein kinase 3 0.0058 0.0405 0.0396
Loa Loa (eye worm) hypothetical protein 0.0025 0.0074 0.0236
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0405 0.1419
Schistosoma mansoni intermediate filament proteins 0.006 0.0419 0.0537
Brugia malayi hypothetical protein 0.0271 0.2507 0.9325
Mycobacterium leprae dTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE RMLC (dTDP-4-KETO-6-DEOXYGLUCOSE 3,5-EPIMERASE) (dTDP-L-RHAMNOSE SYNTHETASE) (THYMIDINE DIP 0.0289 0.2689 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0832 0.0823
Loa Loa (eye worm) follicle stimulating hormone receptor 0.027 0.2504 0.9311
Trypanosoma brucei protein kinase, putative 0.0058 0.0405 0.6888
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0182 0.0675
Entamoeba histolytica hypothetical protein 0.0041 0.0235 0.3792
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0095 0.124
Brugia malayi hypothetical protein 0.0027 0.0095 0.0353
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0051 0.0042
Schistosoma mansoni ap endonuclease 0.002 0.0027 0.0023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0832 0.1077
Leishmania major hypothetical protein, conserved 0.0027 0.0095 0.124

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 105 nM Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs ChEMBL. 25176190

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.