Detailed information for compound 814260

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.481 | Formula: C22H27N5O3
  • H donors: 1 H acceptors: 3 LogP: 1.22 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1ccc(o1)C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)C
  • InChi: 1S/C22H27N5O3/c1-16-3-5-17(6-4-16)14-26-10-9-20-24-25-21(27(20)12-11-26)13-23-22(28)19-8-7-18(30-19)15-29-2/h3-8H,9-15H2,1-2H3,(H,23,28)
  • InChiKey: RMBUPKMUALOOEU-UHFFFAOYSA-N  

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
Echinococcus multilocularis hexokinase type 2 0.4374 1 1
Loa Loa (eye worm) hypothetical protein 0.1391 0.3081 0.3081
Onchocerca volvulus 0.4374 1 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0086 0.0054 0.0054
Echinococcus granulosus tm gpcr rhodopsin 0.1146 0.2513 0.2513
Trypanosoma brucei hexokinase 0.4374 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1146 0.2513 0.2513
Brugia malayi Hexokinase family protein 0.4374 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0086 0.0054 0.0054
Echinococcus granulosus hexokinase 0.4374 1 1
Loa Loa (eye worm) hexokinase 0.4374 1 1
Loa Loa (eye worm) hypothetical protein 0.1391 0.3081 0.3081
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0086 0.0054 0.0054
Onchocerca volvulus 0.4374 1 1
Loa Loa (eye worm) hexokinase 0.1353 0.2995 0.2995
Loa Loa (eye worm) hypothetical protein 0.0086 0.0054 0.0054
Plasmodium falciparum hexokinase 0.4374 1 0.5
Trypanosoma cruzi hexokinase, putative 0.4374 1 1
Trypanosoma cruzi hexokinase, putative 0.4374 1 1
Onchocerca volvulus 0.2744 0.622 0.622
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0086 0.0054 0.0054
Onchocerca volvulus 0.4374 1 1
Brugia malayi hexokinase type II 0.1391 0.3081 0.3081
Treponema pallidum hexokinase (hxk) 0.4374 1 0.5
Leishmania major hexokinase, putative 0.4374 1 0.5
Brugia malayi Hexokinase family protein 0.1353 0.2995 0.2995
Onchocerca volvulus Hexokinase homolog 0.2744 0.622 0.622
Schistosoma mansoni hexokinase 0.4374 1 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0086 0.0054 0.0054
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0086 0.0054 0.0054
Echinococcus multilocularis hexokinase 0.4374 1 1
Echinococcus granulosus voltage dependent calcium channel 0.0086 0.0054 0.0054
Trypanosoma brucei hexokinase, putative 0.4374 1 0.5
Echinococcus multilocularis voltage dependent calcium channel 0.0086 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.2983 0.6775 0.6775
Loa Loa (eye worm) hexokinase 0.2744 0.622 0.622
Echinococcus granulosus hexokinase 0.4374 1 1
Entamoeba histolytica hexokinase 1 0.4374 1 1
Toxoplasma gondii hexokinase 0.4374 1 0.5
Loa Loa (eye worm) hexokinase 0.4374 1 1
Echinococcus multilocularis hexokinase 0.4374 1 1
Trypanosoma brucei hexokinase 0.4374 1 0.5
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0086 0.0054 0.0054
Plasmodium vivax hexokinase, putative 0.4374 1 0.5
Loa Loa (eye worm) calcium channel 0.0086 0.0054 0.0054
Leishmania major hexokinase, putative 0.4374 1 0.5
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0086 0.0054 0.0054
Echinococcus multilocularis voltage dependent calcium channel 0.0086 0.0054 0.0054
Echinococcus granulosus hexokinase 0.4374 1 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0086 0.0054 0.0054
Loa Loa (eye worm) hexokinase type II 0.4374 1 1
Entamoeba histolytica hexokinase 2 0.4374 1 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0086 0.0054 0.0054
Brugia malayi Hexokinase family protein 0.2744 0.622 0.622
Schistosoma mansoni voltage-gated cation channel 0.0086 0.0054 0.0054
Echinococcus granulosus hexokinase type 2 0.4374 1 1
Echinococcus multilocularis hexokinase 0.4374 1 1

Activities

No activities found for this compound.

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.

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