Detailed information for compound 322060

Basic information

Technical information
  • TDR Targets ID: 322060
  • Name: 2-[(2-butoxyquinoline-4-carbonyl)amino]ethyl- diethylazanium
  • MW: 344.471 | Formula: C20H30N3O2+
  • H donors: 2 H acceptors: 2 LogP: 3.79 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC
  • InChi: 1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1
  • InChiKey: PUFQVTATUTYEAL-UHFFFAOYSA-O  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2-butoxyquinoline-4-carbonyl)amino]ethyl-diethyl-ammonium
  • 2-[[(2-butoxy-4-quinolyl)-oxomethyl]amino]ethyl-diethylammonium
  • 2-[(2-butoxyquinolin-4-yl)carbonylamino]ethyl-diethyl-azanium
  • ZINC01530939

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni FMRFamide-gated Na+ channel 0.003 0.0399 0.0572
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2037 0.3133
Brugia malayi ATP synthase lipid-binding protein, mitochondrial precursor 0.013 0.4153 0.4153
Loa Loa (eye worm) hypothetical protein 0.0019 0.0016 0.0016
Schistosoma mansoni alpha-glucosidase 0.0169 0.564 0.8099
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0179 0.0179
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1544 0.1544
Loa Loa (eye worm) hypothetical protein 0.0024 0.0179 0.0179
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0923 1
Echinococcus multilocularis voltage gated potassium channel 0.0019 0.0016 0.0016
Plasmodium vivax ATP synthase lipid-binding protein, mitochondrial precursor, putative 0.013 0.4153 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1544 0.1544
Loa Loa (eye worm) hypothetical protein 0.003 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0041 0.0829 0.0829
Schistosoma mansoni hypothetical protein 0.003 0.0399 0.0572
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0046 0.0999 0.0999
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.4629 0.4629
Schistosoma mansoni hypothetical protein 0.003 0.0399 0.0572
Echinococcus multilocularis lamin 0.0033 0.0507 0.0507
Brugia malayi Amiloride-sensitive sodium channel family protein 0.003 0.0399 0.0399
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2037 0.2037
Echinococcus granulosus Na channel amiloride sensitive 0.003 0.0399 0.0399
Trypanosoma cruzi ATPase subunit 9, putative 0.013 0.4153 1
Echinococcus multilocularis geminin 0.0205 0.6963 0.6963
Schistosoma mansoni hypothetical protein 0.003 0.0399 0.0572
Schistosoma mansoni hypothetical protein 0.003 0.0399 0.0572
Schistosoma mansoni lamin 0.0033 0.0507 0.0728
Schistosoma mansoni hypothetical protein 0.0058 0.1471 0.2112
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0923 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.003 0.0399 0.0399
Schistosoma mansoni hypothetical protein 0.0062 0.1629 0.2339
Schistosoma mansoni hypothetical protein 0.0205 0.6963 1
Brugia malayi Degenerin-like protein C41C4.5 in chromosome II, putative 0.003 0.0399 0.0399
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1544 0.1544
Schistosoma mansoni rab6-interacting 0.0024 0.0179 0.0257
Echinococcus granulosus amiloride sensitive sodium channel 0.003 0.0399 0.0399
Mycobacterium tuberculosis Probable ATP synthase C chain AtpE (lipid-binding protein) (dicyclohexylcarbodiimide-binding protein) 0.013 0.4153 1
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0179 0.0179
Schistosoma mansoni hypothetical protein 0.0024 0.0179 0.0257
Loa Loa (eye worm) hypothetical protein 0.003 0.0399 0.0399
Schistosoma mansoni alpha-glucosidase 0.0169 0.564 0.8099
Brugia malayi Amiloride-sensitive sodium channel family protein 0.003 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0033 0.0507 0.0507
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0829 0.0829
Trypanosoma brucei hypothetical protein 0.0113 0.3536 0.8088
Onchocerca volvulus 0.0058 0.1471 0.3827
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0923 1
Toxoplasma gondii ATP synthase F0 subunit 9, putative 0.013 0.4153 1
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Leishmania major ATPase subunit 9, putative 0.013 0.4153 0.9091
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0019 0.0016 0.0016
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0046 0.0999 0.0999
Plasmodium falciparum ATP synthase subunit C, putative 0.013 0.4153 1
Brugia malayi jmjC domain containing protein 0.0071 0.195 0.195
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.195 0.195
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0179 0.0179
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.1127 0.1618
Schistosoma mansoni hypothetical protein 0.0041 0.0829 0.1191
Schistosoma mansoni survival motor neuron protein 0.0058 0.1471 0.2112
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4695 0.4695
Leishmania major ATPase subunit 9, putative 0.013 0.4153 0.9091
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.003 0.0399 0.0572
Loa Loa (eye worm) hypothetical protein 0.0041 0.0817 0.0817
Echinococcus granulosus voltage gated potassium channel 0.0019 0.0016 0.0016
Echinococcus multilocularis Na+ channel, amiloride sensitive 0.003 0.0399 0.0399
Schistosoma mansoni ATP synthase lipid-binding protein-like protein 0.013 0.4153 0.5964
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0923 0.5
Schistosoma mansoni ATP synthase lipid-binding protein-like protein 0.013 0.4153 0.5964
Echinococcus multilocularis sodium channel nonvoltage gated 1 alpha 0.003 0.0399 0.0399
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0923 1
Echinococcus multilocularis mitochondrial ATP synthase subunit 9 0.013 0.4153 0.4153
Echinococcus multilocularis amiloride sensitive cation channel 4 A 0.003 0.0399 0.0399
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Schistosoma mansoni acid sensing ion channel 4 pituitary 0.003 0.0399 0.0572
Trypanosoma cruzi ATPase subunit 9, putative 0.013 0.4153 1
Loa Loa (eye worm) degenerin unc-8 0.003 0.0399 0.0399
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Onchocerca volvulus 0.0033 0.0507 0.0973
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit C 0.013 0.4153 0.5
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0179 0.0179
Echinococcus granulosus protein vprbp 0.003 0.0399 0.0399
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0923 0.0923
Echinococcus granulosus amiloride sensitive cation channel 4 A 0.003 0.0399 0.0399
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.6668 0.6668
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.4629 0.4629
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2037 0.2037
Echinococcus multilocularis Na+ channel, amiloride sensitive 0.003 0.0399 0.0399
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0399 0.0399
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Schistosoma mansoni hypothetical protein 0.003 0.0399 0.0572
Schistosoma mansoni loxhd1 0.0024 0.0179 0.0257
Trypanosoma cruzi ATPase subunit 9, putative 0.013 0.4153 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0046 0.0999 0.0999
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.195 0.195
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0923 0.0923
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0024 0.0179 0.0179
Brugia malayi hypothetical protein 0.0024 0.0179 0.0179
Schistosoma mansoni lipoxygenase 0.0142 0.4629 0.6648
Mycobacterium leprae PROBABLE ATP SYNTHASE C CHAIN ATPE (LIPID-BINDING PROTEIN) (DICYCLOHEXYLCARBODIIMIDE-BINDING PROTEIN) 0.013 0.4153 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0019 0.0016 0.0016
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.195 0.2801
Brugia malayi Degenerin mec-4 0.003 0.0399 0.0399
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0923 1
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.003 0.0399 0.0572
Schistosoma mansoni hypothetical protein 0.003 0.0399 0.0572
Schistosoma mansoni lamin 0.0033 0.0507 0.0728
Brugia malayi jmjC domain containing protein 0.0071 0.195 0.195
Onchocerca volvulus 0.003 0.0399 0.0651
Echinococcus granulosus Na channel amiloride sensitive 0.003 0.0399 0.0399
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.003 0.0399 0.0399
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0507 0.0507
Brugia malayi Degenerin unc-8 0.003 0.0399 0.0399
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Schistosoma mansoni voltage-gated potassium channel 0.0019 0.0016 0.0023
Schistosoma mansoni hypothetical protein 0.0205 0.6963 1
Schistosoma mansoni lipoxygenase 0.01 0.3021 0.4339
Echinococcus granulosus lamin 0.0033 0.0507 0.0507
Trypanosoma cruzi ATPase subunit 9, putative 0.013 0.4153 1
Echinococcus granulosus geminin 0.0205 0.6963 0.6963
Schistosoma mansoni alpha glucosidase 0.0044 0.0923 0.1326
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0923 0.0923
Brugia malayi hypothetical protein 0.0024 0.0179 0.0179
Echinococcus granulosus lamin dm0 0.0033 0.0507 0.0507
Schistosoma mansoni jumonji domain containing protein 0.0071 0.195 0.2801
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Echinococcus multilocularis protein vprbp 0.003 0.0399 0.0399
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0923 1
Schistosoma mansoni hypothetical protein 0.003 0.0399 0.0572
Echinococcus granulosus sodium channel protein 0.0138 0.4476 0.4476
Brugia malayi Doublecortin family protein 0.0024 0.0179 0.0179
Echinococcus granulosus amiloride sensitive cation channel 0.003 0.0399 0.0399
Trypanosoma cruzi ATPase subunit 9, putative 0.013 0.4153 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0046 0.0999 0.0999
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0179 0.0179
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.1127 0.1618
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4695 0.4695
Echinococcus multilocularis amiloride sensitive cation channel 4 A 0.003 0.0399 0.0399
Echinococcus granulosus mitochondrial ATP synthase subunit 9 0.013 0.4153 0.4153
Mycobacterium ulcerans F0F1 ATP synthase subunit C 0.013 0.4153 1
Trypanosoma brucei Mitochondrial ATP synthase subunit c-3 0.013 0.4153 1
Echinococcus multilocularis musashi 0.0033 0.0507 0.0507
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0507 0.0507
Leishmania major ATPase subunit 9, putative 0.013 0.4153 0.9091
Echinococcus granulosus RUN 0.0024 0.0179 0.0179
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0019 0.0016 0.0016
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0923 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2037 0.3447
Echinococcus multilocularis sodium channel protein 0.0138 0.4476 0.4476
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0923 0.0923
Loa Loa (eye worm) amiloride-sensitive sodium channel family protein 0.003 0.0399 0.0399
Echinococcus multilocularis amiloride sensitive cation channel acid sensing ion channel pituitary 0.003 0.0399 0.0399
Schistosoma mansoni intermediate filament proteins 0.0033 0.0507 0.0728
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2037 0.2925
Brugia malayi Degenerin-like protein ZK770.1 in chromosome I, putative 0.003 0.0399 0.0399
Schistosoma mansoni rab6-interacting 0.0024 0.0179 0.0257
Brugia malayi amiloride-sensitive sodium channel alpha-subunit, putative 0.003 0.0399 0.0399
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2037 0.2925
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0507 0.0507
Echinococcus multilocularis RUN 0.0024 0.0179 0.0179
Trypanosoma brucei Mitochondrial ATP synthase subunit c-1 0.013 0.4153 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.6668 0.6668
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0138 0.4476 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6668 0.6668
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0923 1
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0032 0.0485 0.0485
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.195 0.2801
Onchocerca volvulus 0.0033 0.0507 0.0973
Schistosoma mansoni voltage-gated potassium channel 0.0019 0.0016 0.0023
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6668 0.6668
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0179 0.0179
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.003 0.0399 0.0572
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.195 0.195
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.195 0.195
Trypanosoma brucei Mitochondrial ATP synthase subunit c-2 0.013 0.4153 1
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Loa Loa (eye worm) amiloride-sensitive sodium channel family protein 0.003 0.0399 0.0399
Echinococcus granulosus intermediate filament protein 0.0033 0.0507 0.0507
Onchocerca volvulus 0.003 0.0399 0.0651
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.003 0.0399 0.0572
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.6668 0.6668
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0923 1
Brugia malayi intermediate filament protein 0.0033 0.0507 0.0507
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1471 0.1471
Echinococcus multilocularis lamin dm0 0.0033 0.0507 0.0507
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.003 0.0399 0.0399
Echinococcus granulosus amiloride sensitive cation channel 4 A 0.003 0.0399 0.0399
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0923 1
Loa Loa (eye worm) amiloride-sensitive sodium channel 0.003 0.0399 0.0399
Onchocerca volvulus 0.0114 0.3555 1
Echinococcus granulosus sodium channel nonvoltage gated 1 alpha 0.003 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.003 0.0399 0.0399
Schistosoma mansoni hypothetical protein 0.003 0.0399 0.0572
Loa Loa (eye worm) hypothetical protein 0.006 0.1544 0.1544
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0138 0.4476 0.4476
Brugia malayi MH2 domain containing protein 0.0144 0.4695 0.4695
Schistosoma mansoni polycystin 1-related 0.0024 0.0179 0.0257

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 470 uM Inhibition of apamin-sensitive SKCa channel of guinea-pig hepatocytes ChEMBL. 15225721

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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