Detailed information for compound 347232

Basic information

Technical information
  • TDR Targets ID: 347232
  • Name: methyl 2-(2-morpholin-4-yl-4-oxochromen-7-yl) benzoate
  • MW: 365.379 | Formula: C21H19NO5
  • H donors: 0 H acceptors: 2 LogP: 2.98 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1c1ccc2c(c1)oc(cc2=O)N1CCOCC1
  • InChi: 1S/C21H19NO5/c1-25-21(24)16-5-3-2-4-15(16)14-6-7-17-18(23)13-20(27-19(17)12-14)22-8-10-26-11-9-22/h2-7,12-13H,8-11H2,1H3
  • InChiKey: ZGIBLVSMFOEOKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-(2-morpholino-4-oxo-chromen-7-yl)benzoate
  • 2-(2-morpholino-4-oxo-1-benzopyran-7-yl)benzoic acid methyl ester
  • methyl 2-(2-morpholin-4-yl-4-oxo-chromen-7-yl)benzoate
  • 2-(4-keto-2-morpholino-chromen-7-yl)benzoic acid methyl ester
  • 2-(2-morpholino-4-oxo-7-chromenyl)benzoic acid methyl ester

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0635 0.0671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0495 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.0338 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0495 0.0356
Loa Loa (eye worm) phosphatidylinositol 3 0.0106 0.1587 0.131
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0116 0.1847 0.1158
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0892 0.1248
Loa Loa (eye worm) hypothetical protein 0.0147 0.2704 0.2658
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0415 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0224 0.4789 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0273 0.6118 0.579
Schistosoma mansoni glutamate receptor NMDA 0.0116 0.1847 0.1158
Trichomonas vaginalis PIKK family atypical protein kinase 0.0092 0.119 0.1918
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0116 0.1847 0.1158
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0892 0.1248
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0147 0.2704 0.2087
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0116 0.1847 0.1158
Echinococcus multilocularis nmda type glutamate receptor 0.0273 0.6118 0.579
Chlamydia trachomatis glutamine binding protein 0.0196 0.4035 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.1587 0.281
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0106 0.1587 0.0876
Giardia lamblia GTOR 0.0106 0.1587 0.9047
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0079 0.0851 0.0179
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0196 0.4035 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.0693 0.0803
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0116 0.1847 0.1158
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0106 0.1587 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0224 0.4789 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0079 0.0851 0.1157
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0116 0.1847 0.1158
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.1032 0.1562
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.0338 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.1032 0.1562
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0079 0.0851 0.5364
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.1587 0.281
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.1032 0.1562
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0147 0.2704 0.4801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0479 0.032
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0224 0.4789 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0106 0.1587 0.2014
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0196 0.4035 0.5
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0106 0.1587 0.1869
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0224 0.4789 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0111 0.1728 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0495 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.1587 0.281
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0892 0.1248
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0179 0.358 0.6931
Loa Loa (eye worm) phosphatidylinositol 3 0.0371 0.8792 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0156 0.2936 0.5839
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0224 0.4789 1
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0196 0.4035 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0106 0.1587 0.2533
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0086 0.1034 0.6514
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0224 0.4789 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0892 0.1248
Echinococcus granulosus glutamate receptor 2 0.0116 0.1847 0.1158
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0479 0.032
Toxoplasma gondii target of rapamycin (TOR), putative 0.0081 0.0892 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.0338 0.0005
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0106 0.1587 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0196 0.4035 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0156 0.2936 0.5839
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0103 0.1496 0.1637
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.0338 0.0005
Loa Loa (eye worm) hypothetical protein 0.0077 0.0782 0.0338
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0196 0.4035 0.5
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0192 0.3908 0.7804
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0892 0.1248
Echinococcus multilocularis glutamate receptor 2 0.0116 0.1847 0.1158
Loa Loa (eye worm) glutamate receptor 2 0.0077 0.078 0.0336
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0079 0.0851 0.0078
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0106 0.1587 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0892 0.1248
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0211 0.4438 0.911
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0079 0.0851 0.1157
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.1032 0.1562
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0079 0.0851 0.1157
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0106 0.1587 0.0876
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0415 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.1032 0.1562
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0106 0.1587 0.2533
Echinococcus granulosus nmda type glutamate receptor 0.0273 0.6118 0.579
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0106 0.1587 0.1869
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0054 0.0156 0.0985
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0116 0.1847 0.1158
Loa Loa (eye worm) glutamate receptor 1 0.0077 0.078 0.0336
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0079 0.0851 0.0817
Entamoeba histolytica hypothetical protein 0.0179 0.358 0.6931
Trypanosoma cruzi target of rapamycin kinase 3 0.0086 0.1034 0.1243
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0106 0.1587 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0116 0.1847 0.1158
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0116 0.1847 0.1158
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0147 0.2704 0.2087
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0224 0.4789 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0892 0.1248
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0106 0.1587 0.0876

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 30 % Inhibition against DNA-dependent protein kinase receptor at 0.5uM ChEMBL. 16302822
Inhibition (binding) = 30 % Inhibition against DNA-dependent protein kinase receptor at 0.5uM 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

Bibliographic References

1 literature reference was collected for this gene.

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