Detailed information for compound 1135310

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.445 | Formula: C21H27NO2
  • H donors: 1 H acceptors: 1 LogP: 3.61 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(C(c1ccccc1)(c1ccccc1)O)N1CCOCC1)C
  • InChi: 1S/C21H27NO2/c1-17(2)20(22-13-15-24-16-14-22)21(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3
  • InChiKey: DKXSPARARMBTSS-UHFFFAOYSA-N  

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, shaker-related subfamily, member 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus multilocularis potassium voltage gated channel subfamily A Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma japonicum Potassium voltage-gated channel subfamily A member 5, putative Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma japonicum ko:K04876 potassium voltage-gated channel, Shaker-related subfamily A, member, putative Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma japonicum Potassium voltage-gated channel protein Shaker, putative Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus multilocularis potassium voltage gated channel protein Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus granulosus potassium voltage gated channel protein Get druggable targets OG5_127659 All targets in OG5_127659
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus granulosus potassium voltage gated channel subfamily A Get druggable targets OG5_127659 All targets in OG5_127659
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit Get druggable targets OG5_127659 All targets in OG5_127659

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis voltage gated potassium channel potassium voltage-gated channel, shaker-related subfamily, member 5 613 aa 521 aa 34.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis lamin dm0 0.0027 0.1606 0.1559
Onchocerca volvulus 0.0027 0.1606 0.5
Echinococcus multilocularis potassium voltage gated channel protein 0.0104 1 1
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0104 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.2607 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0214 0.0214
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.2607 0.1193
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.1606 0.1422
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0099 0.9502 0.95
Loa Loa (eye worm) hypothetical protein 0.0027 0.1551 0.1551
Echinococcus granulosus lamin dm0 0.0027 0.1606 0.1559
Brugia malayi hypothetical protein 0.0036 0.2607 0.2445
Loa Loa (eye worm) hypothetical protein 0.0013 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0104 1 1
Onchocerca volvulus 0.0027 0.1606 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.2607 0.5
Echinococcus granulosus potassium voltage gated channel protein 0.0104 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.2607 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0104 1 1
Echinococcus granulosus intermediate filament protein 0.0027 0.1606 0.1559
Echinococcus granulosus lamin 0.0027 0.1606 0.1559
Loa Loa (eye worm) intermediate filament protein 0.0027 0.1606 0.1606
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.2607 0.2566
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.2607 0.2566
Echinococcus multilocularis lamin 0.0027 0.1606 0.1559
Echinococcus multilocularis musashi 0.0027 0.1606 0.1559
Loa Loa (eye worm) hypothetical protein 0.0027 0.1606 0.1606
Brugia malayi intermediate filament protein 0.0027 0.1606 0.1422
Schistosoma mansoni hypothetical protein 0.0036 0.2607 0.1193
Schistosoma mansoni voltage-gated potassium channel 0.0104 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.2607 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.1606 0.1606

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3242 nM Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay ChEMBL. 20304642
IC50 (binding) > 30000 nM Inhibition of human ERG ChEMBL. 20304642

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.