Detailed information for compound 1822979

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.514 | Formula: C22H32N4O3
  • H donors: 2 H acceptors: 2 LogP: 4.1 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCOC(=O)Nc1cc2nc([nH]c2cc1N1CCCC1)C1CCCCC1
  • InChi: 1S/C22H32N4O3/c1-2-28-12-13-29-22(27)25-19-14-17-18(15-20(19)26-10-6-7-11-26)24-21(23-17)16-8-4-3-5-9-16/h14-16H,2-13H2,1H3,(H,23,24)(H,25,27)
  • InChiKey: VZUCBESJXRUTIS-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

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
Onchocerca volvulus 0.0495 0.0096 0.5
Giardia lamblia Hypothetical protein 0.0495 0.0096 0.5
Echinococcus granulosus potassium channel subfamily K 0.0495 0.0096 0.0096
Toxoplasma gondii ion channel protein 0.0495 0.0096 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0495 0.0096 0.5
Schistosoma mansoni twik family of potassium channels-related 0.0495 0.0096 0.0096
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0495 0.0096 0.5
Onchocerca volvulus 0.0495 0.0096 0.5
Onchocerca volvulus 0.0495 0.0096 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0495 0.0096 0.5
Schistosoma mansoni twik family of potassium channels-related 0.0495 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.8222 1 1
Echinococcus granulosus calcium activated potassium channel variant 0.0495 0.0096 0.0096
Echinococcus granulosus twik family of potassium channels 0.0495 0.0096 0.0096
Plasmodium falciparum potassium channel 0.0495 0.0096 0.5
Toxoplasma gondii ion channel protein 0.0495 0.0096 0.5
Plasmodium falciparum potassium channel 0.0495 0.0096 0.5
Schistosoma mansoni hypothetical protein 0.0495 0.0096 0.0096
Schistosoma mansoni twik family of potassium channels-related 0.0495 0.0096 0.0096
Echinococcus granulosus potassium channel subfamily K 8 0.0495 0.0096 0.0096
Echinococcus multilocularis potassium channel subfamily K 8 0.0495 0.0096 0.0096
Leishmania major calcium/potassium channel (CAKC), putative 0.0495 0.0096 0.5
Echinococcus multilocularis calcium activated potassium channel variant 0.0495 0.0096 0.0096
Schistosoma mansoni twik family of potassium channels-related 0.0495 0.0096 0.0096
Schistosoma mansoni twik family of potassium channels-related 0.0495 0.0096 0.0096
Schistosoma mansoni twik family of potassium channels-related 0.0495 0.0096 0.0096
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0495 0.0096 0.5
Trypanosoma cruzi ion transport protein, putative 0.0495 0.0096 0.5
Leishmania major ion transport protein-like protein 0.0495 0.0096 0.5
Echinococcus granulosus twik family of potassium channels 0.0495 0.0096 0.0096
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.8222 1 1
Onchocerca volvulus 0.0495 0.0096 0.5
Echinococcus multilocularis small conductance calcium activated potassium 0.0495 0.0096 0.0096
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0495 0.0096 0.5
Trypanosoma brucei calcium-activated potassium channel, putative 0.0495 0.0096 0.5
Mycobacterium ulcerans transmembrane cation transporter 0.0495 0.0096 0.5
Leishmania major hypothetical protein, conserved 0.0495 0.0096 0.5
Plasmodium vivax potassium channel, putative 0.0495 0.0096 0.5
Loa Loa (eye worm) hypothetical protein 0.7727 0.9366 0.936
Echinococcus multilocularis potassium channel subfamily K 8 0.0495 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.8222 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0495 0.0096 0.5
Plasmodium vivax potassium channel, putative 0.0495 0.0096 0.5
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0495 0.0096 0.5
Schistosoma mansoni twik family of potassium channels-related 0.8222 1 1
Onchocerca volvulus 0.0495 0.0096 0.5
Echinococcus granulosus small conductance calcium activated potassium 0.0495 0.0096 0.0096
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0495 0.0096 0.5
Leishmania major potassium channel subunit-like protein 0.0495 0.0096 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0495 0.0096 0.5
Onchocerca volvulus 0.0495 0.0096 0.5
Echinococcus granulosus potassium channel subfamily K 8 0.0495 0.0096 0.0096
Schistosoma mansoni twik family of potassium channels-related 0.0495 0.0096 0.0096
Schistosoma mansoni calcium-activated potassium channel 0.0495 0.0096 0.0096
Schistosoma mansoni calcium-activated potassium channel 0.0495 0.0096 0.0096
Mycobacterium ulcerans ion transport protein 0.0495 0.0096 0.5
Onchocerca volvulus 0.0495 0.0096 0.5
Leishmania major hypothetical protein, conserved 0.0495 0.0096 0.5
Echinococcus multilocularis potassium channel subfamily K 0.0495 0.0096 0.0096
Schistosoma mansoni hypothetical protein 0.0495 0.0096 0.0096
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0495 0.0096 0.5
Onchocerca volvulus 0.0495 0.0096 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0495 0.0096 0.5
Trypanosoma cruzi ion transport protein, putative 0.0495 0.0096 0.5
Echinococcus multilocularis twik family of potassium channels 0.0495 0.0096 0.0096
Echinococcus granulosus Two pore potassium channel protein sup 9 0.8222 1 1
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0495 0.0096 0.5
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.0495 0.0096 0.0096
Schistosoma mansoni calcium-activated potassium channel 0.0495 0.0096 0.0096
Echinococcus granulosus TWiK family of potassium channels protein 7 0.0495 0.0096 0.0096
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0495 0.0096 0.5
Echinococcus multilocularis twik family of potassium channels 0.0495 0.0096 0.0096
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0495 0.0096 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 1.56 ug ml-1 Antibacterial activity against Mycobacterium tuberculosis H37Rv assessed as parasite growth inhibition after 6 days by microplate Alamar Blue assay ChEMBL. 24266862

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

No literature references available for this target.

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