Detailed information for compound 1824194

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 263.806 | Formula: C16H22ClN
  • H donors: 0 H acceptors: 0 LogP: 4.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(CC#CCc1ccc(cc1)Cl)CC
  • InChi: 1S/C16H22ClN/c1-3-5-13-18(4-2)14-7-6-8-15-9-11-16(17)12-10-15/h9-12H,3-5,8,13-14H2,1-2H3
  • InChiKey: ZPWJAKYMHMTBOP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 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 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 japonicum Potassium voltage-gated channel subfamily H member 2, 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
Echinococcus multilocularis potassium voltage gated channel subfamily H 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 mansoni voltage-gated potassium channel 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

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
Trypanosoma brucei Valosin-containing protein 0.0476 0.9457 1
Brugia malayi ATPase, AAA family protein 0.0026 0.0000041468 0.0000073523
Mycobacterium tuberculosis Putative conserved ATPase 0.03 0.5767 0.5
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0476 0.9457 0.9457
Toxoplasma gondii cell division protein CDC48AP 0.03 0.5767 0.5767
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0479 0.0479
Trypanosoma cruzi vacuolar transport protein 4A, putative 0.0026 0.0000041468 0.0000043848
Trypanosoma cruzi Valosin-containing protein, putative 0.0476 0.9457 1
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0502 1 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0502 1 1
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0476 0.9457 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0393 0.0393
Trypanosoma cruzi katanin, putative 0.0026 0.0000041468 0.0000043848
Toxoplasma gondii cell division protein CDC48CY 0.0502 1 1
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0502 1 0.5
Trypanosoma cruzi katanin, putative 0.0026 0.0000041468 0.0000043848
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0208 0.3817 0.3817
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0331 0.0331
Trypanosoma cruzi vacuolar protein sorting-associated protein 4, putative 0.0026 0.0000041468 0.0000043848
Loa Loa (eye worm) fidgetin protein 0.0026 0.0000041468 0.0000073523
Brugia malayi vesicle-fusing ATPase 0.0294 0.564 1
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0119 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0294 0.564 1
Trypanosoma cruzi katanin, putative 0.0026 0.0000041468 0.0000043848
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0502 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0331 0.0331
Trypanosoma cruzi metalloprotease, putative 0.0026 0.0000041468 0.0000043848
Loa Loa (eye worm) VCP protein 0.0208 0.3817 0.6768
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0476 0.9457 1
Trypanosoma cruzi katanin, putative 0.0026 0.0000041468 0.0000043848
Loa Loa (eye worm) hypothetical protein 0.0039 0.0269 0.0478
Loa Loa (eye worm) vesicle-fusing ATPase 0.0294 0.564 1
Entamoeba histolytica cdc48-like protein, putative 0.0476 0.9457 1
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0119 0.195 0.195
Loa Loa (eye worm) ATPase 0.0026 0.0000041468 0.0000073523
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.03 0.5767 0.5767
Brugia malayi valosin containing protein 0.0294 0.564 1
Trypanosoma cruzi katanin-like protein, putative 0.0026 0.0000041468 0.0000043848
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0479 0.0479
Brugia malayi vps4b-prov protein 0.0026 0.0000041468 0.0000073523
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0393 0.0393
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0476 0.9457 1
Trypanosoma cruzi katanin, putative 0.0026 0.0000041468 0.0000043848
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0393 0.0697
Giardia lamblia AAA family ATPase 0.03 0.5767 1
Trypanosoma cruzi vesicular transport protein (CDC48 homologue), putative 0.0026 0.0000041468 0.0000043848
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0393 0.0697
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0208 0.3817 0.3817
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0476 0.9457 1
Mycobacterium ulcerans ATPase 0.03 0.5767 0.5
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0208 0.3817 0.6768

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2654 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.

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