Detailed information for compound 276668

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 265.394 | Formula: C15H27N3O
  • H donors: 2 H acceptors: 1 LogP: 2.58 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCCNC(=O)c1[nH]c(c(c1C)C)C)CC
  • InChi: 1S/C15H27N3O/c1-6-18(7-2)10-8-9-16-15(19)14-12(4)11(3)13(5)17-14/h17H,6-10H2,1-5H3,(H,16,19)
  • InChiKey: WUROVXJKQZYPQI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0498 0.4681
Loa Loa (eye worm) hypothetical protein 0.0591 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0926 0.8705
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0926 0.8705
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0926 0.0926
Trypanosoma cruzi squalene monooxygenase, putative 0.054 0.9131 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0498 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0926 0.8705
Leishmania major squalene monooxygenase-like protein 0.054 0.9131 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0498 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0926 0.0926
Entamoeba histolytica hypothetical protein 0.0037 0.0498 0.5
Brugia malayi TAR-binding protein 0.0062 0.0926 0.0926
Loa Loa (eye worm) hypothetical protein 0.0084 0.13 0.13
Schistosoma mansoni hypothetical protein 0.007 0.1064 1
Brugia malayi hypothetical protein 0.0067 0.1024 0.1024
Echinococcus multilocularis jun protein 0.0086 0.134 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0498 0.3717
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0926 0.6913
Trypanosoma cruzi squalene monooxygenase, putative 0.054 0.9131 0.5
Echinococcus granulosus jun protein 0.0086 0.134 1
Brugia malayi bZIP transcription factor family protein 0.0086 0.134 0.134
Trypanosoma brucei squalene monooxygenase, putative 0.054 0.9131 0.5
Schistosoma mansoni jun-related protein 0.007 0.1064 1
Entamoeba histolytica hypothetical protein 0.0037 0.0498 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0498 0.3717
Echinococcus granulosus tar DNA binding protein 0.0062 0.0926 0.6913
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0086 0.134 1
Schistosoma mansoni hypothetical protein 0.0037 0.0498 0.4681
Brugia malayi RNA binding protein 0.0062 0.0926 0.0926
Onchocerca volvulus 0.0067 0.1024 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0926 0.8705
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0926 0.8705
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0086 0.134 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0926 0.0926
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0926 0.0926
Brugia malayi hypothetical protein 0.0037 0.0498 0.0498

Activities

Activity type Activity value Assay description Source Reference
APD95 (functional) = -5 % Maximum percent change in repolarizaton at 100 uM concentration on Canine Purkinje fibers. ChEMBL. 2918518
APD95 (functional) = 7 % Maximum percent change in repolarizaton at 10 uM concentration on Canine Purkinje fibers. ChEMBL. 2918518
APD95 (functional) = 8.3 % Percent change in repolarizaton at 10 Purkinje fibers.; value ranges from 0-25 ChEMBL. 2918518
APD95 (functional) = 26 % Maximum percent change in repolarizaton at 30 uM concentration on Canine Purkinje fibers. ChEMBL. 2918518
CT (functional) = -9 % Maximum percent change in conduction time (CT) at 10 uM concentration tested on Canine ventricular muscle fibre ChEMBL. 2918518
CT (functional) = -6 % Maximum percent change in conduction time (CT) at 1 uM concentration tested on Canine ventricular muscle fibre ChEMBL. 2918518
CT (functional) M 0 % Percent change from control in conduction time (CT) at 10 uM concentration tested on Canine ventricular muscle fibre.; M is minimal(<10% change in CT) ChEMBL. 2918518
CT (functional) = 8 % Maximum percent change in conduction time (CT) at 100 uM concentration tested on Canine ventricular muscle fibre ChEMBL. 2918518
EC20 (functional) = 50 uM Concentration of compound ( ) which gives a 20% decrease in contractile force was tested on papillary muscle of guinea pig, activity was expressed as EC-20. ChEMBL. 2918518
FRP (functional) = 4 % Maximum percent change in functional refractory period (FRP) at 0.1 uM on Canine ventricular muscle fibre. ChEMBL. 2918518
FRP (functional) = 5.7 % Percent change from control in the functional refractory period (FRP) at 10 uMconc. on Canine ventricular muscle fibre.; value ranges from -4-17 ChEMBL. 2918518
FRP (functional) = 28 % Maximum percent change in functional refractory period (FRP) at 100 uM on Canine ventricular muscle fibre. ChEMBL. 2918518
Vmax (ADMET) = -14.3 % Percent change from control in the rate of rise of phase 0 of the action potential at 10 uM concentration on Canine Purkinje fibers.; value ranges from -32-3 ChEMBL. 2918518
Vmax (uM) (ADMET) = -15 % Maximum Percent change from control in the rate of rise of phase 0 of the action potential at 100 uM concentration on Canine Purkinje fibers. ChEMBL. 2918518

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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