Detailed information for compound 1824184

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.867 | Formula: C21H35ClIN
  • H donors: 0 H acceptors: 0 LogP: 7.81 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCC[N+](C/C=C/Cc1ccc(cc1)Cl)(CC)CC.[I-]
  • InChi: 1S/C21H35ClN.HI/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;/h10,12,14-17H,4-9,11,13,18-19H2,1-3H3;1H/q+1;/p-1/b12-10+;
  • InChiKey: OZXGGCWDPHSMME-VHPXAQPISA-M  

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma mansoni voltage-gated potassium channel 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
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
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 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 mansoni voltage-gated potassium channel 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
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
Loa Loa (eye worm) hypothetical protein 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

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
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0776 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0466 0.0466
Loa Loa (eye worm) hypothetical protein 0.0013 0.0053 0.0053
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0519 0.0519
Echinococcus granulosus calcium activated potassium channel 0.001 0.0015 0.0015
Brugia malayi Egg laying defective protein 4 0.0013 0.0053 0.0053
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0428 0.0428
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0776 1 1
Echinococcus granulosus cGMP dependent protein kinase 1 0.0013 0.0053 0.0053
Giardia lamblia Kinase, CMGC MAPK 0.0776 1 0.5
Echinococcus multilocularis calcium activated potassium channel 0.001 0.0015 0.0015
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0013 0.0053 0.0053
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0519 0.0519
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0776 1 1
Echinococcus granulosus cGMP dependent protein kinase 0.0013 0.0053 0.0053
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0466 0.0466
Trypanosoma brucei protein kinase, putative 0.0776 1 1
Echinococcus granulosus cGMP dependent protein kinase 1 0.0013 0.0053 0.0053
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0776 1 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0466 0.0466
Loa Loa (eye worm) hypothetical protein 0.0039 0.0389 0.0389
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0053 0.0053
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0776 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0053 0.0053
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0053 0.0053
Schistosoma mansoni serine/threonine protein kinase 0.0776 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0428 0.0428
Echinococcus multilocularis mitogen activated protein kinase 3 0.0776 1 1
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0053 0.0053
Plasmodium falciparum cGMP-dependent protein kinase 0.0013 0.0053 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0053 0.0053
Echinococcus granulosus mitogen activated protein kinase 0.0776 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0776 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0053 0.0053
Trichomonas vaginalis CMGC family protein kinase 0.0776 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0053 0.0053
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0776 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0053 0.0053
Echinococcus multilocularis mitogen activated protein kinase 0.0776 1 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0053 0.0053
Echinococcus multilocularis expressed conserved protein 0.0013 0.0053 0.0053
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0053 0.0053
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0013 0.0053 0.0053
Loa Loa (eye worm) AGC/PKG protein kinase 0.0013 0.0053 0.0053
Trichomonas vaginalis CMGC family protein kinase 0.0776 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0466 0.0466
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0776 1 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0776 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0776 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0776 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0776 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.5 nM Displacement of [3H]astemizole from human ERG channel expressed in HEK293 cell membrane after 1 hr by scintillation counting analysis ChEMBL. 24224763

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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