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

Hover on a compound node to display the structore

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.