Detailed information for compound 829660

Basic information

Technical information
  • TDR Targets ID: 829660
  • Name: methyl 2-[3-[2-(4-chlorophenyl)ethyl]-6,10-di methyl-8-oxo-2,4-dihydropyrano[5,6-g][1,3]ben zoxazin-7-yl]acetate
  • MW: 441.904 | Formula: C24H24ClNO5
  • H donors: 0 H acceptors: 2 LogP: 4.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)OCN(C1)CCc1ccc(cc1)Cl
  • InChi: 1S/C24H24ClNO5/c1-14-19-10-17-12-26(9-8-16-4-6-18(25)7-5-16)13-30-22(17)15(2)23(19)31-24(28)20(14)11-21(27)29-3/h4-7,10H,8-9,11-13H2,1-3H3
  • InChiKey: YVYILLUNHLDIST-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[3-[2-(4-chlorophenyl)ethyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[5,6-g][1,3]benzoxazin-7-yl]acetic acid methyl ester
  • 2-[3-[2-(4-chlorophenyl)ethyl]-8-keto-6,10-dimethyl-2,4-dihydropyrano[5,6-g][1,3]benzoxazin-7-yl]acetic acid methyl ester
  • methyl 2-[3-[2-(4-chlorophenyl)ethyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[5,6-g][1,3]benzoxazin-7-yl]ethanoate
  • ST5327783

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 metabotropic glutamate receptor 5 0.0589 0.7127 0.7116
Loa Loa (eye worm) hypothetical protein 0.0045 0.0154 0.0217
Echinococcus multilocularis glutamate receptor 2 0.0045 0.0154 0.0115
Entamoeba histolytica hypothetical protein 0.0045 0.0154 1
Brugia malayi Receptor family ligand binding region containing protein 0.0045 0.0154 0.027
Brugia malayi follicle stimulating hormone receptor 0.0248 0.2765 0.4841
Loa Loa (eye worm) hypothetical protein 0.0045 0.0154 0.0217
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0195 0.0342
Loa Loa (eye worm) hypothetical protein 0.0045 0.0154 0.0217
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0078 0.0573 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0401 0.4715 0.4694
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0248 0.2765 0.3879
Echinococcus multilocularis glutamate receptor 2 0.0045 0.0154 0.0115
Loa Loa (eye worm) RGC/RGC protein kinase 0.0045 0.0154 0.0217
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0078 0.0573 0.1004
Brugia malayi Receptor family ligand binding region containing protein 0.0123 0.115 0.2013
Echinococcus granulosus glutamate receptor 2 0.0045 0.0154 0.0161
Loa Loa (eye worm) RGC/RGC protein kinase 0.0045 0.0154 0.0217
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0045 0.0154 0.0161
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0195 0.0342
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0123 0.115 0.1613
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0045 0.0154 0.0161
Loa Loa (eye worm) hypothetical protein 0.0045 0.0154 0.0217
Trypanosoma cruzi extracellular receptor, putative 0.0045 0.0154 0.5
Leishmania major extracellular receptor, putative 0.0045 0.0154 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0589 0.7127 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0401 0.4715 0.6596
Loa Loa (eye worm) hypothetical protein 0.0123 0.115 0.1613
Schistosoma mansoni metabotropic glutamate receptor 0.0401 0.4715 0.7197
Loa Loa (eye worm) RGC/RGC protein kinase 0.0045 0.0154 0.0217
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0045 0.0154 0.0115
Schistosoma mansoni hypothetical protein 0.0036 0.004 0.0061
Loa Loa (eye worm) hypothetical protein 0.0589 0.7127 1
Brugia malayi Guanylyl cyclase protein 23 0.0045 0.0154 0.027
Schistosoma mansoni hypothetical protein 0.0078 0.0573 0.0875
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0433 0.5134 0.899
Schistosoma mansoni tyrosine kinase 0.0045 0.0154 0.0236
Loa Loa (eye worm) hypothetical protein 0.0045 0.0154 0.0217
Echinococcus granulosus GPCR family 3 C terminal 0.0078 0.0573 0.0752
Brugia malayi Metabotropic glutamate receptor precursor. 0.0478 0.571 1
Echinococcus granulosus receptor type guanylyl cyclase 0.0045 0.0154 0.0161
Schistosoma mansoni protein kinase 0.0045 0.0154 0.0236
Loa Loa (eye worm) hypothetical protein 0.0048 0.0195 0.0274
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0544 0.6551 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0154 0.0217
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0045 0.0154 0.0161
Echinococcus granulosus nmda type glutamate receptor 0.0045 0.0154 0.0161
Loa Loa (eye worm) hypothetical protein 0.0045 0.0154 0.0217
Brugia malayi metabotropic glutamate receptor type 2 0.0233 0.2567 0.4495
Schistosoma mansoni glutamate receptor NMDA 0.0045 0.0154 0.0236
Echinococcus multilocularis receptor type guanylyl cyclase 0.0045 0.0154 0.0115
Loa Loa (eye worm) glutamate receptor 0.0188 0.199 0.2792
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.004 0.0061
Brugia malayi hypothetical protein 0.0045 0.0154 0.027
Schistosoma mansoni tyrosine kinase 0.0045 0.0154 0.0236
Echinococcus granulosus atrial natriuretic peptide receptor 0.0045 0.0154 0.0161
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0045 0.0154 0.0217
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0045 0.0154 0.0115
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0045 0.0154 0.0115
Echinococcus granulosus glutamate receptor 2 0.0045 0.0154 0.0161
Brugia malayi hypothetical protein 0.0036 0.004 0.007
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0195 0.0274
Loa Loa (eye worm) hypothetical protein 0.0078 0.0573 0.0804
Schistosoma mansoni metabotropic glutamate receptor 0.0233 0.2567 0.3918
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0045 0.0154 0.0115
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0045 0.0154 0.027
Echinococcus multilocularis nmda type glutamate receptor 0.0045 0.0154 0.0115
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0045 0.0154 0.0115
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0045 0.0154 0.0161
Onchocerca volvulus Poor gastrulation protein homolog 0.0078 0.0573 1
Echinococcus multilocularis GPCR, family 3, C terminal 0.0078 0.0573 0.0535
Echinococcus multilocularis tyrosine kinase 0.0045 0.0154 0.0115
Loa Loa (eye worm) glutamate receptor 0.0478 0.571 0.8012
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0123 0.115 0.1613
Echinococcus granulosus tyrosine kinase 0.0045 0.0154 0.0161

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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