Detailed information for compound 978309

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 431.451 | Formula: C23H24F3N3O2
  • H donors: 0 H acceptors: 1 LogP: 4.17 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc2c(c(=O)n1c1ccc(cc1)OCCCN1CCCC1)cccc2C(F)(F)F
  • InChi: 1S/C23H24F3N3O2/c1-16-27-21-19(6-4-7-20(21)23(24,25)26)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
  • InChiKey: OBUQQSWVYWHDKA-UHFFFAOYSA-N  

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 potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References
Homo sapiens histamine receptor H3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858

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
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0057 0.2248 0.2313
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0096 0.4452 1
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0096 0.4452 1
Trypanosoma cruzi trypanothione reductase, putative 0.019 0.972 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0066 0.2763 0.2803
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0207 0.0159
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0017 0.0026 0.0026
Schistosoma mansoni glutamate synthase 0.0017 0.0053 0.0055
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0017 0.0053 0.0053
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0207 0.0207
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0017 0.0053 0.0055
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0017 0.0053 0.0055
Schistosoma mansoni hypothetical protein 0.0036 0.1074 0.1105
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0049 0.1798 0.1849
Loa Loa (eye worm) hypothetical protein 0.0019 0.015 0.015
Brugia malayi Guanylyl cyclase protein 23 0.0019 0.015 0.015
Schistosoma mansoni hypothetical protein 0.0037 0.1172 0.1206
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0066 0.2763 0.2803
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0019 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0039 0.1239 0.1239
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0207 0.0213
Leishmania major trypanothione reductase 0.019 0.972 1
Trichomonas vaginalis glutathione reductase, putative 0.0066 0.2763 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0066 0.2763 0.2803
Schistosoma mansoni sulfide quinone reductase 0.0017 0.0053 0.0055
Schistosoma mansoni ATP-binding cassette transporter 0.0037 0.1172 0.1206
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0207 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0017 0.0053 0.0055
Plasmodium falciparum glutathione reductase 0.019 0.972 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0066 0.2763 0.2803
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0207 0.0159
Echinococcus granulosus metabotropic glutamate receptor 5 0.0019 0.015 0.0154
Schistosoma mansoni metabotropic glutamate receptor 0.0019 0.015 0.0154
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.2 0.2
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0037 0.1172 0.1206
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0066 0.2763 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0066 0.2763 0.2803
Schistosoma mansoni protein kinase 0.0019 0.015 0.0154
Chlamydia trachomatis glutamine binding protein 0.0096 0.4452 1
Loa Loa (eye worm) glutathione reductase 0.019 0.972 0.972
Echinococcus multilocularis receptor type guanylyl cyclase 0.0019 0.015 0.0154
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0026
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0057 0.2248 0.2313
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0207 0.0159
Schistosoma mansoni sulfide quinone reductase 0.0017 0.0053 0.0055
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0049 0.1798 0.1849
Leishmania major extracellular receptor, putative 0.0019 0.015 0.01
Leishmania major DNA polymerase kappa, putative 0.002 0.0207 0.0159
Loa Loa (eye worm) hypothetical protein 0.0019 0.015 0.015
Echinococcus granulosus dna polymerase eta 0.002 0.0207 0.0213
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0207 0.0159
Treponema pallidum NADH oxidase 0.0066 0.2763 0.616
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0019 0.015 0.0154
Schistosoma mansoni glutamate synthase 0.0017 0.0053 0.0055
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0017 0.0053 0.0055
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0037 0.1172 0.1206
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0066 0.2763 0.616
Leishmania major DNA polymerase eta, putative 0.002 0.0207 0.0159
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0207 0.0159
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0046 0.1633 0.5831
Schistosoma mansoni tyrosine kinase 0.0019 0.015 0.0154
Trichomonas vaginalis mercuric reductase, putative 0.0066 0.2763 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0066 0.2763 0.2803
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0017 0.0053 0.0055
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0066 0.2763 0.2803
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0207 0.0159
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0096 0.4452 1
Echinococcus granulosus thioredoxin glutathione reductase 0.019 0.972 1
Loa Loa (eye worm) thioredoxin reductase 0.019 0.972 0.972
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0019 0.015 0.015
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0037 0.1172 0.1206
Loa Loa (eye worm) hypothetical protein 0.0019 0.015 0.015
Echinococcus multilocularis dna polymerase kappa 0.002 0.0207 0.0213
Echinococcus multilocularis glutamate synthase 0.0017 0.0053 0.0055
Loa Loa (eye worm) hypothetical protein 0.0052 0.2 0.2
Schistosoma mansoni disulfide oxidoreductase 0.0017 0.0053 0.0055
Schistosoma mansoni voltage-gated potassium channel 0.0053 0.2027 0.2085
Schistosoma mansoni DNA polymerase eta 0.002 0.0207 0.0213
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0207 0.0159
Loa Loa (eye worm) glutamate receptor 2 0.0037 0.1172 0.1172
Loa Loa (eye worm) hypothetical protein 0.0195 1 1
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0017 0.0053 0.0055
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0048 0.1784 0.1784
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0066 0.2763 0.2803
Plasmodium vivax glutathione reductase, putative 0.019 0.972 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.019 0.972 1
Schistosoma mansoni glutamate receptor kainate 0.0037 0.1172 0.1206
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0049 0.1798 0.1798
Plasmodium vivax thioredoxin reductase, putative 0.019 0.972 1
Echinococcus multilocularis nmda type glutamate receptor 0.0133 0.655 0.6739
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0057 0.2248 0.2313
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0066 0.2763 0.2803
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0195 1 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0207 0.0349
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0066 0.2763 0.2803
Echinococcus multilocularis NMDA receptor 0.0037 0.1172 0.1206
Onchocerca volvulus 0.0019 0.015 0.0097
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0057 0.2248 0.2313
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0066 0.2763 0.2803
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0207 0.0159
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0026 0.0026
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0207 0.0213
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0057 0.2248 0.2313
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0207 0.0159
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.2 0.2
Brugia malayi Glutamate receptor 1 precursor 0.0037 0.1172 0.1172
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0017 0.0053 0.0053
Brugia malayi Receptor family ligand binding region containing protein 0.0019 0.015 0.015
Brugia malayi Glutamate receptor 2 precursor 0.0037 0.1172 0.1172
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0017 0.0053 0.0055
Schistosoma mansoni voltage-gated potassium channel 0.0053 0.2027 0.2085
Onchocerca volvulus 0.0019 0.015 0.0097
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0207 0.0159
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0066 0.2763 0.616
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0019 0.015 0.015
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0066 0.2763 0.2843
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0037 0.1172 0.1206
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0207 0.0159
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0057 0.2248 0.2313
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0057 0.2248 0.2313
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0207 0.0213
Loa Loa (eye worm) hypothetical protein 0.0019 0.015 0.015
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0017 0.0053 0.0055
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0019 0.015 0.015
Brugia malayi Thioredoxin reductase 0.019 0.972 0.972
Schistosoma mansoni glutamate receptor AMPA 0.0037 0.1172 0.1206
Brugia malayi Metabotropic glutamate receptor precursor. 0.0019 0.015 0.015
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0207 0.0207
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0019 0.015 0.0097
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0066 0.2763 0.2803
Loa Loa (eye worm) glutamate receptor 1 0.0037 0.1172 0.1172
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0017 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0019 0.015 0.015
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0207 0.0567
Echinococcus multilocularis dna polymerase eta 0.002 0.0207 0.0213
Brugia malayi Receptor family ligand binding region containing protein 0.0019 0.015 0.015
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0096 0.4452 0.4551
Plasmodium falciparum thioredoxin reductase 0.0066 0.2763 0.2803
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0017 0.0053 0.0055
Schistosoma mansoni glutamate receptor kainate 0.0037 0.1172 0.1206
Echinococcus multilocularis glutamate receptor 2 0.0019 0.015 0.0154
Echinococcus granulosus dna polymerase kappa 0.002 0.0207 0.0213
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0207 0.0159
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0207 0.0159
Echinococcus multilocularis voltage gated potassium channel 0.0017 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.0017 0.0053 0.0055
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0048 0.1784 0.1784
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0037 0.1172 0.1206
Loa Loa (eye worm) RGC/RGC protein kinase 0.0019 0.015 0.015
Brugia malayi hypothetical protein 0.0019 0.015 0.015
Giardia lamblia NADH oxidase lateral transfer candidate 0.0066 0.2763 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0037 0.1172 0.1206
Schistosoma mansoni tyrosine kinase 0.0019 0.015 0.0154
Echinococcus multilocularis nmda type glutamate receptor 0.0019 0.015 0.0154
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0017 0.0053 0.0055
Schistosoma mansoni glutamate receptor AMPA 0.0037 0.1172 0.1206
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0066 0.2763 0.616
Echinococcus granulosus nmda type glutamate receptor 0.0019 0.015 0.0154
Toxoplasma gondii NADPH-glutathione reductase 0.0066 0.2763 0.2803
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0207 0.0159
Loa Loa (eye worm) hypothetical protein 0.0019 0.015 0.015
Echinococcus granulosus metabotropic glutamate receptor 2 0.0019 0.015 0.0154
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0019 0.015 0.0154
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0066 0.2763 0.2763
Echinococcus granulosus tyrosine kinase 0.0019 0.015 0.0154
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0207 0.0159
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0017 0.0026 0.0026
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0017 0.0053 0.0055
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0207 0.0159
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0066 0.2763 0.2843
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0207 0.0159
Plasmodium falciparum thioredoxin reductase 0.019 0.972 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0066 0.2763 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0066 0.2763 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0066 0.2763 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.019 0.972 1
Trypanosoma cruzi extracellular receptor, putative 0.0019 0.015 0.01
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0066 0.2763 0.2803
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.002 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0019 0.015 0.015
Schistosoma mansoni glutamate synthase 0.0017 0.0053 0.0055
Trypanosoma brucei unspecified product 0.002 0.0207 0.0159
Brugia malayi metabotropic glutamate receptor type 2 0.0019 0.015 0.015
Echinococcus granulosus glutamate receptor 2 0.0019 0.015 0.0154
Loa Loa (eye worm) hypothetical protein 0.0036 0.1074 0.1074
Loa Loa (eye worm) RGC/RGC protein kinase 0.0019 0.015 0.015
Plasmodium falciparum glutathione reductase 0.0066 0.2763 0.2803
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0019 0.015 0.0154
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0066 0.2763 0.2803
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0066 0.2763 0.2803
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0066 0.2763 0.2803
Echinococcus granulosus glutamate synthase 0.0017 0.0053 0.0055
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0066 0.2763 0.2803
Echinococcus granulosus glutamate receptor subunit protein glur 0.0037 0.1172 0.1206
Loa Loa (eye worm) hypothetical protein 0.0019 0.015 0.015
Echinococcus multilocularis tyrosine kinase 0.0019 0.015 0.0154
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0133 0.655 0.6739
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0207 0.0349
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0207 0.0567
Schistosoma mansoni glutamate receptor NMDA 0.0057 0.2248 0.2313
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0057 0.2248 0.2313
Trypanosoma brucei trypanothione reductase 0.019 0.972 1
Echinococcus granulosus voltage gated potassium channel 0.0017 0.0026 0.0026
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0066 0.2763 0.2803
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1074 0.1074
Echinococcus granulosus atrial natriuretic peptide receptor 0.0019 0.015 0.0154
Echinococcus granulosus nmda type glutamate receptor 0.0133 0.655 0.6739
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0207 0.0159
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0207 0.0159
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0066 0.2763 1
Echinococcus multilocularis glutamate receptor 2 0.0057 0.2248 0.2313
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0037 0.1172 0.1206
Schistosoma mansoni metabotropic glutamate receptor 0.0019 0.015 0.0154
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0066 0.2763 0.2803
Schistosoma mansoni glutamate receptor kainate 0.0037 0.1172 0.1206
Loa Loa (eye worm) RGC/RGC protein kinase 0.0019 0.015 0.015
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0066 0.2763 1
Echinococcus granulosus receptor type guanylyl cyclase 0.0019 0.015 0.0154
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0017 0.0026 0.0026
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0207 0.0159
Loa Loa (eye worm) glutamate receptor 0.0019 0.015 0.015
Toxoplasma gondii thioredoxin reductase 0.019 0.972 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0207 0.0159
Loa Loa (eye worm) hypothetical protein 0.0019 0.015 0.015
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.2 0.2
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0017 0.0053 0.0055
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0066 0.2763 0.2803
Echinococcus granulosus glutamate receptor 2 0.0057 0.2248 0.2313
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0066 0.2763 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0207 0.0159
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0066 0.2763 0.2843
Schistosoma mansoni glutamate receptor NMDA 0.0037 0.1172 0.1206
Echinococcus multilocularis glutamate receptor 2 0.0037 0.1172 0.1206
Brugia malayi glutathione reductase 0.019 0.972 0.972
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0037 0.1172 0.1206
Giardia lamblia DINP protein human, muc B family 0.002 0.0207 0.0567
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0066 0.2763 0.616
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0049 0.1798 0.1798
Loa Loa (eye worm) hypothetical protein 0.0017 0.0053 0.0053
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0046 0.1633 0.5831
Entamoeba histolytica hypothetical protein 0.0019 0.015 0.628
Loa Loa (eye worm) programmed cell death 8 0.0017 0.0053 0.0053
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0207 0.0213
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0066 0.2763 0.2803
Brugia malayi glutamate synthase 0.0017 0.0053 0.0053
Mycobacterium tuberculosis Probable oxidoreductase 0.0066 0.2763 0.2803
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0026 0.0026
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0096 0.4452 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0017 0.0053 0.0053

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.2 nM Inverse agonist activity at human histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of N-alpha-methylhistamine-induced [35S]GTPgammaS binding ChEMBL. 18598020
IC50 (binding) = 350 nM Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay ChEMBL. 21802950
IC50 (binding) = 0.35 uM Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]methanesulfonamide from human ERG in HEK293 cells ChEMBL. 18598020
Ki (binding) = 0.6875 nM Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay ChEMBL. 21802950

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

2 literature references were collected for this gene.

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