Detailed information for compound 439076

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.56 | Formula: C26H34N2O2
  • H donors: 0 H acceptors: 0 LogP: 4.69 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1CN(C)Cc2c1ccc(c2)OCCCN(C1CC1)C1CC1
  • InChi: 1S/C26H34N2O2/c1-27-17-20-16-24(30-15-3-14-28(21-6-7-21)22-8-9-22)12-13-25(20)26(18-27)19-4-10-23(29-2)11-5-19/h4-5,10-13,16,21-22,26H,3,6-9,14-15,17-18H2,1-2H3
  • InChiKey: QTAUJHKCILRJMG-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 histamine receptor H3 Starlite/ChEMBL References
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 4 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_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
Loa Loa (eye worm) serotonin transporter b 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
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent 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
Echinococcus granulosus serotonin 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
Treponema pallidum sodium- and chloride- dependent 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
Onchocerca volvulus 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
Schistosoma mansoni norepinephrine/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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 30.9 %
Onchocerca volvulus Transmembrane protein 120 homolog Serotonin transporter   630 aa 571 aa 31.2 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Serotonin transporter   630 aa 638 aa 25.1 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 552 aa 41.5 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 605 aa 37.7 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Serotonin transporter   630 aa 581 aa 40.1 %
Echinococcus multilocularis sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Serotonin transporter   630 aa 520 aa 36.2 %
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 4 630 aa 574 aa 31.5 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 582 aa 35.2 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 509 aa 28.3 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Serotonin transporter   630 aa 585 aa 34.2 %
Onchocerca volvulus Serotonin transporter   630 aa 611 aa 26.4 %
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 %
Echinococcus granulosus sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi UDP-galactopyranose mutase 0.0147 0.0592 1
Loa Loa (eye worm) acetyltransferase 0.0142 0.0567 0.958
Schistosoma mansoni hypothetical protein 0.0042 0.0083 0.1071
Loa Loa (eye worm) hypothetical protein 0.0025 0.0003 0.0058
Echinococcus granulosus lysine specific histone demethylase 1A 0.0147 0.0592 0.7686
Loa Loa (eye worm) hypothetical protein 0.0146 0.0589 0.9939
Schistosoma mansoni sodium/chloride dependent transporter 0.0146 0.0589 0.764
Brugia malayi Doublecortin family protein 0.0042 0.0083 0.1394
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0022 0.0379
Schistosoma mansoni hypothetical protein 0.0165 0.0683 0.8865
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0082 0.1383
Chlamydia trachomatis protoporphyrinogen oxidase 0.0147 0.0592 1
Echinococcus multilocularis RUN 0.0042 0.0083 0.1071
Schistosoma mansoni lamin 0.0055 0.0146 0.1898
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0114 0.148
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0141 0.2376
Schistosoma mansoni amine oxidase 0.0147 0.0592 0.7686
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0064 0.083
Mycobacterium ulcerans oxidoreductase 0.0147 0.0592 0.053
Entamoeba histolytica hypothetical protein 0.0105 0.0389 0.2023
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0066 0.0007
Schistosoma mansoni lipoxygenase 0.0108 0.0405 0.526
Plasmodium vivax hypothetical protein, conserved 0.0147 0.0592 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0054 0.0916
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0083 0.1071
Loa Loa (eye worm) hypothetical protein 0.0042 0.0083 0.1394
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0183 0.0771 1
Toxoplasma gondii exonuclease III APE 0.0038 0.0066 0.1118
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0061 0.0789
Plasmodium falciparum LCCL domain-containing protein 0.0042 0.0083 0.1394
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0193 0.2404
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0105 0.0389 0.2023
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.1634 0.7816 0.8404
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0147 0.0592 0.5
Schistosoma mansoni rab6-interacting 0.0042 0.0083 0.1071
Schistosoma mansoni sodium/chloride dependent transporter 0.0025 0.0002 0.0031
Schistosoma mansoni polycystin 1-related 0.0042 0.0083 0.1071
Echinococcus multilocularis protoporphyrinogen oxidase 0.0147 0.0592 0.7686
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0141 0.5894
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0146 0.0589 0.9939
Loa Loa (eye worm) hypothetical protein 0.0055 0.0146 0.247
Loa Loa (eye worm) serotonin transporter b 0.0146 0.0589 0.9939
Schistosoma mansoni hypothetical protein 0.0038 0.0064 0.083
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0064 0.083
Loa Loa (eye worm) hypothetical protein 0.0147 0.0592 1
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0146 0.247
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0193 0.25
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.0567 0.7363
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0082 0.2105
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0141 0.1826
Loa Loa (eye worm) hypothetical protein 0.0147 0.0592 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0141 0.1417
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0146 0.247
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0114 0.148
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0141 0.1417
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0193 0.3253
Brugia malayi SWIRM domain containing protein 0.0147 0.0592 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0147 0.0592 1
Brugia malayi intermediate filament protein 0.0055 0.0146 0.247
Echinococcus granulosus lysine specific histone demethylase 1A 0.0147 0.0592 0.7686
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0141 0.1417
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0083 0.1071
Leishmania major UDP-galactopyranose mutase 0.0147 0.0592 1
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0066 0.1118
Loa Loa (eye worm) hypothetical protein 0.0054 0.0141 0.2387
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0114 0.148
Plasmodium falciparum protoporphyrinogen oxidase 0.0147 0.0592 1
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0141 0.1826
Schistosoma mansoni lamin 0.0055 0.0146 0.1898
Echinococcus multilocularis Polycystic kidney disease protein 0.0042 0.0083 0.1071
Schistosoma mansoni lozenge 0.0056 0.015 0.1949
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0082 0.1063
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0082 0.1383
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0368 0.1669 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0141 0.2376
Echinococcus multilocularis serotonin transporter 0.0146 0.0589 0.764
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0147 0.0592 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0183 0.0771 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0114 0.1925
Mycobacterium tuberculosis Conserved hypothetical protein 0.0147 0.0592 0.0571
Echinococcus granulosus lamin 0.0055 0.0146 0.1898
Mycobacterium tuberculosis Possible oxidoreductase 0.0147 0.0592 0.0571
Schistosoma mansoni amine oxidase 0.0147 0.0592 0.7686
Schistosoma mansoni hypothetical protein 0.011 0.0415 0.5382
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0066 0.0859
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0141 0.1417
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0147 0.0592 0.7686
Plasmodium vivax multidomain scavenger receptor, putative 0.0042 0.0083 0.1394
Schistosoma mansoni rab6-interacting 0.0042 0.0083 0.1071
Loa Loa (eye worm) hypothetical protein 0.0147 0.0592 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.0592 1
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0141 0.1826
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0054 0.0916
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0193 0.2404
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0064 0.083
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0146 0.0589 0.764
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0193 0.3253
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0114 0.148
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0065 0.0007
Brugia malayi amine oxidase, flavin-containing family protein 0.0147 0.0592 1
Echinococcus multilocularis musashi 0.0055 0.0146 0.1898
Brugia malayi hypothetical protein 0.0147 0.0592 1
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0061 0.0789
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.0548 0.7113
Echinococcus granulosus geminin 0.0165 0.0683 0.8865
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0083 0.1071
Loa Loa (eye worm) hypothetical protein 0.0053 0.0135 0.2281
Schistosoma mansoni hypothetical protein 0.0036 0.0054 0.0704
Toxoplasma gondii histone lysine-specific demethylase 0.0147 0.0592 1
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.0567 0.958
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0141 0.0472
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.0567 0.7363
Echinococcus granulosus lamin dm0 0.0055 0.0146 0.1898
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0147 0.0592 0.7686
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.0141 0.1417
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0193 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0141 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0193 0.25
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0008 0.0108
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0114 0.1925
Schistosoma mansoni loxhd1 0.0042 0.0083 0.1071
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0066 0.1118
Onchocerca volvulus 0.0042 0.0083 0.1394
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0147 0.0592 0.053
Loa Loa (eye worm) hypothetical protein 0.0146 0.0589 0.9939
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0193 0.2404
Schistosoma mansoni ap endonuclease 0.0038 0.0066 0.0859
Echinococcus granulosus intermediate filament protein 0.0055 0.0146 0.1898
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0082 0.2105
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0147 0.0592 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0193 0.25
Loa Loa (eye worm) doublecortin family protein 0.0042 0.0083 0.1394
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0114 0.148
Treponema pallidum sodium- and chloride- dependent transporter 0.0146 0.0589 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0147 0.0592 0.7686
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0066 0.0859
Echinococcus granulosus RUN 0.0042 0.0083 0.1071
Trypanosoma brucei protein kinase, putative 0.0054 0.0141 0.5894
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0147 0.0592 1
Brugia malayi MAP kinase sur-1 0.0054 0.0141 0.2376
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0193 0.0802
Loa Loa (eye worm) hypothetical protein 0.0147 0.0592 1
Schistosoma mansoni hypothetical protein 0.0165 0.0683 0.8865
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0066 0.1118
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0141 0.1826
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0066 0.0014
Giardia lamblia DNA repair protein RAD52 0.0368 0.1669 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0141 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.0592 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0008 0.014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0135 0.2281
Brugia malayi hypothetical protein 0.0042 0.0083 0.1394
Loa Loa (eye worm) norepinephrine transporter 0.0146 0.0589 0.9939
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0022 0.0379
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0135 0.2281
Echinococcus multilocularis Protein lozenge 0.0056 0.015 0.1949
Onchocerca volvulus 0.0042 0.0083 0.1394
Loa Loa (eye worm) solute carrier family 6 member 4 0.0146 0.0589 0.9939
Echinococcus multilocularis lamin dm0 0.0055 0.0146 0.1898
Trypanosoma cruzi UDP-galactopyranose mutase 0.0147 0.0592 1
Echinococcus multilocularis 0.0147 0.0592 0.7686
Schistosoma mansoni lipoxygenase 0.0183 0.0771 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.0589 0.9939
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.1634 0.7816 0.7801
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0141 0.1826
Loa Loa (eye worm) hypothetical protein 0.0025 0.0003 0.0058
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0146 0.247
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0135 0.2281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0114 0.148
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2084 1 1
Brugia malayi hypothetical protein 0.0038 0.0064 0.108
Schistosoma mansoni intermediate filament proteins 0.0055 0.0146 0.1898
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.0141 0.1417
Schistosoma mansoni ap endonuclease 0.0038 0.0066 0.0859
Onchocerca volvulus 0.0055 0.0146 0.247
Echinococcus granulosus Polycystic kidney disease protein 0.0042 0.0083 0.1071
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0114 0.148
Mycobacterium ulcerans dehydrogenase 0.0147 0.0592 0.053
Brugia malayi hypothetical protein 0.0042 0.0083 0.1394
Echinococcus multilocularis lamin 0.0055 0.0146 0.1898
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0082 0.1383
Loa Loa (eye worm) runx1 0.0056 0.015 0.2536
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0066 0.5
Mycobacterium ulcerans monoamine oxidase 0.0147 0.0592 0.053
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0141 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0008 0.0108
Onchocerca volvulus 0.0055 0.0146 0.247
Onchocerca volvulus 0.0146 0.0589 0.9939
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1937 0.9287 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0147 0.0592 1
Plasmodium vivax hypothetical protein, conserved 0.0147 0.0592 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0066 0.1118
Loa Loa (eye worm) hypothetical protein 0.0042 0.0083 0.1394
Onchocerca volvulus 0.0147 0.0592 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0141 1
Echinococcus multilocularis geminin 0.0165 0.0683 0.8865
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0083 0.1071
Echinococcus granulosus serotonin transporter 0.0146 0.0589 0.764
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0065 0.1098

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7.4 nM Binding affinity to human histamine H3 receptor ChEMBL. 17107798
Ki (binding) = 7.4 nM Binding affinity to human histamine H3 receptor ChEMBL. 17107798
Ki (binding) = 7.6 nM Binding affinity to rat SERT ChEMBL. 17107798
Ki (binding) = 7.6 nM Binding affinity to rat SERT ChEMBL. 17107798
Ki (binding) = 9.7 nM Binding affinity to human SERT ChEMBL. 17107798
Ki (binding) = 9.7 nM Binding affinity to human SERT ChEMBL. 17107798

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.

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