Detailed information for compound 266657

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.48 | Formula: C23H27N3O
  • H donors: 0 H acceptors: 2 LogP: 4.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C1CCCCC1)C)c1ccc(cc1)Cn1c(C)nc2c1cccc2
  • InChi: 1S/C23H27N3O/c1-17-24-21-10-6-7-11-22(21)26(17)16-18-12-14-19(15-13-18)23(27)25(2)20-8-4-3-5-9-20/h6-7,10-15,20H,3-5,8-9,16H2,1-2H3
  • InChiKey: YRKAWXIPOMLDMY-UHFFFAOYSA-N  


Substructure search Similarity search

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 platelet-activating factor receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus g-protein coupled receptor platelet-activating factor receptor 342 aa 302 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni inhibitor of apoptosis protein 0.0061 0.1214 0.1214
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.016 0.016
Giardia lamblia Translation initiation factor eIF-4A, putative 0.032 1 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.032 1 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.032 1 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.032 1 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.032 1 0.5
Echinococcus granulosus glutamate receptor 2 0.003 0.016 0.016
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.016 0.016
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0061 0.1214 0.1214
Echinococcus granulosus eukaryotic initiation factor 4A III 0.032 1 1
Echinococcus multilocularis inhibitor of apoptosis protein 0.0061 0.1214 0.1214
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.032 1 0.5
Echinococcus multilocularis glutamate receptor 2 0.003 0.016 0.016
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.032 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.016 0.016
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0061 0.1214 0.1214
Treponema pallidum ATP-dependent RNA helicase 0.032 1 0.5
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.003 0.016 0.016
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.016 0.016
Echinococcus granulosus inhibitor of apoptosis protein 0.0061 0.1214 0.1214
Schistosoma mansoni hypothetical protein 0.0061 0.1214 0.1214
Plasmodium falciparum eukaryotic initiation factor 4A 0.032 1 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.003 0.016 0.016
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.032 1 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.032 1 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0033 0.0269 0.0269
Echinococcus granulosus eukaryotic initiation factor 4A 0.032 1 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.032 1 1
Plasmodium vivax RNA helicase-1, putative 0.032 1 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.016 0.016
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0033 0.0269 0.0269
Loa Loa (eye worm) hypothetical protein 0.032 1 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.032 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.032 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0061 0.1214 0.1214
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0061 0.1214 0.1214
Echinococcus multilocularis nmda type glutamate receptor 0.0033 0.0269 0.0269
Loa Loa (eye worm) hypothetical protein 0.0061 0.1214 0.1214
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.032 1 0.5
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0061 0.1214 0.1214
Schistosoma mansoni glutamate receptor NMDA 0.003 0.016 0.016
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.032 1 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.032 1 1
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0061 0.1214 0.1214
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.032 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.032 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 500 nM Antagonistic activiyt of the compound was determined for inhibition of [3H]-PAF receptor binding to washed human platelet membranes. ChEMBL. No reference
IC50 (binding) = 500 nM Antagonistic activiyt of the compound was determined for inhibition of [3H]-PAF receptor binding to washed human platelet membranes. ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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