Detailed information for compound 208372

Basic information

Technical information
  • TDR Targets ID: 208372
  • Name: butyl-dodecyl-dimethylazanium iodide
  • MW: 397.421 | Formula: C18H40IN
  • H donors: 0 H acceptors: 0 LogP: 7.97 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCC[N+](CCCC)(C)C.[I-]
  • InChi: 1S/C18H40N.HI/c1-5-7-9-10-11-12-13-14-15-16-18-19(3,4)17-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
  • InChiKey: SKWQHRYKHFHVGE-UHFFFAOYSA-M  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • butyl-dodecyl-dimethyl-ammonium iodide
  • butyl-dodecyl-dimethylammonium iodide
  • butyl-dodecyl-dimethyl-azanium iodide
  • butyl-lauryl-dimethyl-ammonium iodide

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
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.00504067 0.200122 0.250752
Echinococcus multilocularis glutamate receptor 2 0.00349411 0.110752 0.138772
Echinococcus multilocularis glycine receptor subunit alpha 1 0.00504067 0.200122 0.250752
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Schistosoma mansoni nAChR subunit 0.00232516 0.043203 0.043203
Schistosoma mansoni ATP-binding cassette transporter 0.00426293 0.155179 0.155179
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.00504067 0.200122 0.250752
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00504067 0.200122 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.00504067 0.200122 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.00504067 0.200122 1
Schistosoma mansoni neurotransmitter gated ion channel 0.00232516 0.043203 0.043203
Loa Loa (eye worm) hypothetical protein 0.00271551 0.0657601 0.14375
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00504067 0.200122 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.00504067 0.200122 0.250752
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.00504067 0.200122 0.200122
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.00504067 0.200122 0.200122
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.00232516 0.043203 0.0541331
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.00504067 0.200122 0.200122
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00504067 0.200122 1
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00271551 0.0657601 0.14375
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.00504067 0.200122 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.00232516 0.043203 0.0541331
Loa Loa (eye worm) hypothetical protein 0.00271551 0.0657601 0.14375
Echinococcus granulosus glutamate receptor NMDA 0.0138111 0.706929 0.885778
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Schistosoma mansoni neurotransmitter gated ion channel 0.00232516 0.043203 0.043203
Schistosoma mansoni nAChR subunit 0.00504067 0.200122 0.200122
Loa Loa (eye worm) LGC-31 protein 0.00504067 0.200122 1
Echinococcus multilocularis glycine receptor subunit beta 0.00504067 0.200122 0.250752
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Loa Loa (eye worm) ACC-1 protein 0.00504067 0.200122 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.00504067 0.200122 0.250752
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00504067 0.200122 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00504067 0.200122 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.00271551 0.0657601 0.0657601
Echinococcus multilocularis glycine receptor subunit alpha 1 0.00504067 0.200122 0.250752
Loa Loa (eye worm) hypothetical protein 0.00271551 0.0657601 0.14375
Echinococcus multilocularis glutamate receptor 2 0.00507164 0.201911 0.252994
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00504067 0.200122 1
Schistosoma mansoni acetylcholine receptor subunit beta 0.00232516 0.043203 0.043203
Loa Loa (eye worm) hypothetical protein 0.00271551 0.0657601 0.14375
Schistosoma mansoni acetylcholine receptor-related 0.00232516 0.043203 0.043203
Schistosoma mansoni glutamate receptor AMPA 0.00426293 0.155179 0.155179
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.00504067 0.200122 1
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Schistosoma mansoni glutamate receptor NMDA 0.00426293 0.155179 0.155179
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.00507164 0.201911 0.252994
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.00504067 0.200122 0.200122
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.00504067 0.200122 0.250752
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00504067 0.200122 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.00507164 0.201911 0.252994
Loa Loa (eye worm) hypothetical protein 0.00271551 0.0657601 0.14375
Onchocerca volvulus 0.00504067 0.200122 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.00504067 0.200122 0.250752
Echinococcus granulosus nmda type glutamate receptor 0.0146198 0.753662 0.944333
Brugia malayi excitatory GABA receptor EXP-1A 0.00504067 0.200122 1
Echinococcus multilocularis nAChR subunit 0.00271551 0.0657601 0.082397
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.00263806 0.0612842 0.5
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.00271551 0.0657601 0.0657601
Echinococcus granulosus potassium voltage gated channel subfamily H 0.00287575 0.0750197 0.0939992
Schistosoma mansoni nAChR subunit 0.00504067 0.200122 0.200122
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.00263806 0.0612842 0.5
Brugia malayi Glutamate receptor 1 precursor 0.00426293 0.155179 0.713592
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.00426293 0.155179 0.194439
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.00232516 0.043203 0.0541331
Echinococcus granulosus nmda type glutamate receptor 0.0153886 0.798089 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00271551 0.0657601 0.14375
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.00504067 0.200122 0.250752
Schistosoma mansoni glutamate receptor kainate 0.00426293 0.155179 0.155179
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.00507164 0.201911 0.252994
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.00507164 0.201911 0.252994
Echinococcus multilocularis glutamate receptor NMDA 0.0138111 0.706929 0.885778
Schistosoma mansoni nAChR subunit 0.00504067 0.200122 0.200122
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Schistosoma mansoni neurotransmitter gated ion channel 0.00271551 0.0657601 0.0657601
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.00504067 0.200122 0.250752
Loa Loa (eye worm) ACC-1 protein 0.00504067 0.200122 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.00507164 0.201911 0.252994
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Loa Loa (eye worm) hypothetical protein 0.00246812 0.0514639 0.0526441
Brugia malayi Cation transporter family protein 0.00504067 0.200122 1
Loa Loa (eye worm) hypothetical protein 0.00271551 0.0657601 0.14375
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Brugia malayi Glutamate receptor 2 precursor 0.00426293 0.155179 0.713592
Onchocerca volvulus 0.00504067 0.200122 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.00504067 0.200122 0.250752
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.00504067 0.200122 1
Onchocerca volvulus 0.00271551 0.0657601 0.14375
Schistosoma mansoni nAChR subunit 0.00504067 0.200122 0.200122
Echinococcus multilocularis glycine receptor subunit beta 0.00504067 0.200122 0.250752
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.00271551 0.0657601 0.14375
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.00504067 0.200122 0.250752
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.00232516 0.043203 0.0541331
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.00287575 0.0750197 0.202759
Echinococcus granulosus glutamate receptor 2 0.00349411 0.110752 0.138772
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.00504067 0.200122 1
Loa Loa (eye worm) hypothetical protein 0.00271551 0.0657601 0.14375
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.00232516 0.043203 0.0541331
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00504067 0.200122 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.00287575 0.0750197 0.202759
Schistosoma mansoni nAChR subunit 0.00504067 0.200122 0.200122
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.00507164 0.201911 0.252994
Echinococcus multilocularis nmda type glutamate receptor 0.0153886 0.798089 1
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.00504067 0.200122 0.250752
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.00504067 0.200122 1
Schistosoma mansoni voltage-gated potassium channel 0.00317057 0.092056 0.092056
Loa Loa (eye worm) glutamate receptor 1 0.00426293 0.155179 0.713592
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.00504067 0.200122 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.00504067 0.200122 0.250752
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00504067 0.200122 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.00504067 0.200122 0.250752
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.00271551 0.0657601 0.14375
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.00504067 0.200122 0.200122
Schistosoma mansoni glutamate receptor AMPA 0.00426293 0.155179 0.155179
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.00504067 0.200122 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.00504067 0.200122 0.250752
Schistosoma mansoni nAChR subunit 0.00504067 0.200122 0.200122
Echinococcus multilocularis nmda type glutamate receptor 0.0146198 0.753662 0.944333
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.00504067 0.200122 0.250752
Onchocerca volvulus 0.00504067 0.200122 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.00507164 0.201911 0.252994
Echinococcus granulosus glycine receptor subunit beta 0.00504067 0.200122 0.250752
Schistosoma mansoni nAChR subunit 0.00504067 0.200122 0.200122
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Brugia malayi Cation transporter family protein 0.00504067 0.200122 1
Entamoeba histolytica hypothetical protein 0.00271551 0.0657601 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.00504067 0.200122 1
Echinococcus granulosus glutamate receptor 2 0.00507164 0.201911 0.252994
Schistosoma mansoni voltage-gated potassium channel 0.00317057 0.092056 0.092056
Onchocerca volvulus 0.00504067 0.200122 1
Echinococcus granulosus nAChR subunit 0.00504067 0.200122 0.250752
Loa Loa (eye worm) glutamate receptor 2 0.00426293 0.155179 0.713592
Onchocerca volvulus 0.00504067 0.200122 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.00507164 0.201911 0.252994
Onchocerca volvulus Putative nachr subunit 0.00504067 0.200122 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.00504067 0.200122 0.250752
Echinococcus multilocularis nAChR subunit 0.00504067 0.200122 0.250752
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.00287575 0.0750197 0.0939992
Loa Loa (eye worm) GABA receptor subunit 0.00271551 0.0657601 0.14375
Schistosoma mansoni glutamate receptor NMDA 0.0188827 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.00504067 0.200122 0.250752
Echinococcus granulosus glycine receptor subunit beta 0.00504067 0.200122 0.250752
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Loa Loa (eye worm) hypothetical protein 0.00271551 0.0657601 0.14375
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.00504067 0.200122 0.200122
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.00504067 0.200122 0.250752
Brugia malayi Cation transporter family protein 0.00504067 0.200122 1
Loa Loa (eye worm) hypothetical protein 0.00271551 0.0657601 0.14375
Schistosoma mansoni nAChR subunit 0.00232516 0.043203 0.043203
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Onchocerca volvulus 0.00271551 0.0657601 0.14375
Echinococcus multilocularis glutamate receptor 2 0.00426293 0.155179 0.194439
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Loa Loa (eye worm) hypothetical protein 0.00504067 0.200122 1
Onchocerca volvulus 0.00504067 0.200122 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.00504067 0.200122 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.00426293 0.155179 0.194439
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.00504067 0.200122 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.00504067 0.200122 0.250752
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.00504067 0.200122 1
Schistosoma mansoni glutamate receptor kainate 0.00426293 0.155179 0.155179
Echinococcus granulosus nAChR subunit 0.00271551 0.0657601 0.082397
Schistosoma mansoni glutamate receptor kainate 0.00426293 0.155179 0.155179

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.26 uM In vitro antimalarial activity against Plasmodium falciparum ChEMBL. 10669577
IC50 (functional) = 0.26 uM Inhibitory activity against Plasmodium falciparum ChEMBL. 9357523
IC50 (functional) = 0.26 uM In vitro antimalarial activity against Plasmodium falciparum ChEMBL. 10669577
IC50 (functional) = 0.26 uM Inhibitory activity against Plasmodium falciparum ChEMBL. 9357523

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 10669577

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

2 literature references were collected for this gene.

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