Detailed information for compound 347293

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 283.322 | Formula: C17H17NO3
  • H donors: 1 H acceptors: 1 LogP: 2.85 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCC/N=c/1\cc(O)c2c(o1)c1ccccc1cc2
  • InChi: 1S/C17H17NO3/c1-20-10-4-9-18-16-11-15(19)14-8-7-12-5-2-3-6-13(12)17(14)21-16/h2-3,5-8,11,19H,4,9-10H2,1H3/b18-16+
  • InChiKey: JTACJRUIXYDHOF-FBMGVBCBSA-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 protein kinase, DNA-activated, catalytic polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Echinococcus granulosus DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
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 granulosus glutamate receptor 2 0.0023 0.0041 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0023 0.0041 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0023 0.0041 0.0041
Giardia lamblia GTOR 0.0022 0 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0023 0.0041 0.0041
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0054 0.1112 0.1112
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0313 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0288 0.9125 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0023 0.0041 0.0041
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0039 0.059 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0268 0.843 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0023 0.0041 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0054 0.1112 0.1112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0039 0.059 0.5
Echinococcus multilocularis glutamate receptor 2 0.0023 0.0041 0.0041
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0288 0.9125 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0023 0.0041 0.0041
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.3011 1
Echinococcus multilocularis nmda type glutamate receptor 0.0054 0.1112 0.1112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0039 0.059 0.5
Chlamydia trachomatis glutamine binding protein 0.0039 0.059 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0023 0.0041 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Leishmania major hypothetical protein, conserved 0.0114 0.3155 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0023 0.0041 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0023 0.0041 0.0041

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibitory activity against DNA-dependent protein kinase receptor ChEMBL. 16302822
IC50 (binding) > 10 uM Inhibitory activity against DNA-dependent protein kinase receptor ChEMBL. 16302822

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

1 literature reference was collected for this gene.

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