Detailed information for compound 821701

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.489 | Formula: C24H27N3O3
  • H donors: 0 H acceptors: 2 LogP: 3.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC(CC1)n1c(COc2ccccc2)nc2c1cccc2)C1CCCO1
  • InChi: 1S/C24H27N3O3/c28-24(22-11-6-16-29-22)26-14-12-18(13-15-26)27-21-10-5-4-9-20(21)25-23(27)17-30-19-7-2-1-3-8-19/h1-5,7-10,18,22H,6,11-17H2
  • InChiKey: DFSSPQDFXMMYDV-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
Loa Loa (eye worm) protein phosphatase 2C containing protein 0.0073 1 1
Leishmania major protein phosphatase 2A regulatory subunit, putative 0.0054 0.3837 0.5
Brugia malayi TAR-binding protein 0.0067 0.8142 0.8142
Echinococcus granulosus tar DNA binding protein 0.0067 0.8142 0.8142
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.0054 0.3837 0.5
Loa Loa (eye worm) serine/threonine protein phosphatase 2A 0.0054 0.3837 0.3837
Schistosoma mansoni tar DNA-binding protein 0.0067 0.8142 0.8142
Echinococcus granulosus protein phosphatase 1b 0.0073 1 1
Echinococcus multilocularis tar DNA binding protein 0.0067 0.8142 0.8142
Loa Loa (eye worm) TAR-binding protein 0.0067 0.8142 0.8142
Schistosoma mansoni protein phosphatase pp2a regulatory subunit B 0.0054 0.3837 0.3837
Echinococcus multilocularis protein phosphatase 1b 0.0073 1 1
Giardia lamblia Protein phosphatase PP2A regulatory subunit B 0.0054 0.3837 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.3837 0.5
Brugia malayi serine/threonine protein phosphatase 2A 0.0054 0.3837 0.3837
Trichomonas vaginalis protein phosphatase pp2a regulatory subunit B, putative 0.0054 0.3837 0.5
Trichomonas vaginalis protein phosphatase PP2A regulatory subunit B, putative 0.0054 0.3837 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.8142 0.8142
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.8142 0.8142
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.8142 0.8142
Schistosoma mansoni protein phosphatase 2C 0.0073 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.3837 0.5
Schistosoma mansoni protein phosphatase 2C 0.0064 0.7035 0.7035
Leishmania major hypothetical protein, conserved 0.0054 0.3837 0.5
Echinococcus granulosus protein phosphatase 1b 0.0064 0.7035 0.7035
Schistosoma mansoni tar DNA-binding protein 0.0067 0.8142 0.8142
Loa Loa (eye worm) RNA binding protein 0.0067 0.8142 0.8142
Echinococcus multilocularis protein phosphatase 1b 0.0064 0.7035 0.7035
Trichomonas vaginalis serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B gamma isoform, putative 0.0054 0.3837 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.8142 0.8142
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.0054 0.3837 0.5
Echinococcus multilocularis protein phosphatase pp2a regulatory subunit b 0.0054 0.3837 0.3837
Brugia malayi RNA binding protein 0.0067 0.8142 0.8142
Schistosoma mansoni tar DNA-binding protein 0.0067 0.8142 0.8142
Onchocerca volvulus Protein phosphatase PP2A 55 kDa regulatory subunit homolog 0.0054 0.3837 1
Trypanosoma brucei protein phosphatase 2A regulatory subunit, putative 0.0054 0.3837 0.5
Entamoeba histolytica protein phosphatase regulatory subunit, putative 0.0054 0.3837 0.5
Schistosoma mansoni protein phosphatase 2C 0.0064 0.7035 0.7035
Echinococcus granulosus protein phosphatase pp2a regulatory subunit b 0.0054 0.3837 0.3837
Trypanosoma brucei hypothetical protein, conserved 0.0054 0.3837 0.5

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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