Detailed information for compound 435277

Basic information

Technical information
  • TDR Targets ID: 435277
  • Name: 4,9-dimethoxy-6-(morpholin-4-ylmethyl)-7-pyri din-3-ylfuro[3,2-g]chromen-5-one
  • MW: 422.431 | Formula: C23H22N2O6
  • H donors: 0 H acceptors: 2 LogP: 1.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c2c(=O)c(CN3CCOCC3)c(oc2c(c2c1cco2)OC)c1cccnc1
  • InChi: 1S/C23H22N2O6/c1-27-20-15-5-9-30-21(15)23(28-2)22-17(20)18(26)16(13-25-7-10-29-11-8-25)19(31-22)14-4-3-6-24-12-14/h3-6,9,12H,7-8,10-11,13H2,1-2H3
  • InChiKey: FUUGYRMTBNCXCU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4,9-dimethoxy-6-(morpholinomethyl)-7-(3-pyridyl)furo[3,2-g]chromen-5-one
  • 4,9-dimethoxy-6-(morpholinomethyl)-7-(3-pyridyl)-5-furo[3,2-g][1]benzopyranone
  • 4,9-dimethoxy-6-(morpholin-4-ylmethyl)-7-pyridin-3-yl-furo[3,2-g]chromen-5-one

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 granulosus global transcription activator snf2l2 0.007 0.154 0.1652
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0392 1 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0271 0.6821 0.5
Schistosoma mansoni hypothetical protein 0.0086 0.1951 0.5015
Echinococcus multilocularis BRK domain containing protein 0.0012 0.0009 0.0009
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1062 0.1054
Brugia malayi hypothetical protein 0.0026 0.0383 0.0374
Echinococcus multilocularis chromodomain helicase DNA binding protein 7 0.0012 0.0009 0.0009
Schistosoma mansoni serine-rich repeat protein 0.0086 0.1951 0.5015
Echinococcus multilocularis BRK domain containing protein 0.0012 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0036 0.0628 0.0619
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0121 0.2867 1
Schistosoma mansoni hypothetical protein 0.0017 0.0123 0.0317
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0392 1 1
Schistosoma mansoni helicase 0.007 0.154 0.3959
Schistosoma mansoni hypothetical protein 0.0017 0.0123 0.0317
Schistosoma mansoni hypothetical protein 0.0012 0.0009 0.0023
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0367 0.9319 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0123 0.0132
Brugia malayi hypothetical protein 0.0017 0.0137 0.0128
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0392 1 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.0167 0.4069 0.4366
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0383 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.1627 0.162
Echinococcus multilocularis BRK domain containing protein 0.0012 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0017 0.0123 0.0317
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0392 1 1
Echinococcus multilocularis global transcription activator snf2l2 0.007 0.154 0.1652
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0383 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0123 0.0114
Schistosoma mansoni hypothetical protein 0.0036 0.0628 0.1614
Echinococcus multilocularis BRK domain containing protein 0.0012 0.0009 0.0009
Brugia malayi Cache domain containing protein 0.0074 0.1627 0.162
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1062 0.1055
Schistosoma mansoni hypothetical protein 0.0017 0.0123 0.0317
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0121 0.2867 0.2849
Schistosoma mansoni hypothetical protein 0.0012 0.0009 0.0023
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0123 0.0114
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1062 0.1054
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0392 1 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0392 1 1
Echinococcus multilocularis BRK domain containing protein 0.0012 0.0009 0.0009
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0383 0.5
Echinococcus granulosus Chromo domain 0.0012 0.0009 0.001
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0392 1 1
Echinococcus granulosus BRK domain containing protein 0.0012 0.0009 0.0009
Echinococcus multilocularis BRK domain containing protein 0.0012 0.0009 0.0009
Echinococcus multilocularis Chromo domain 0.0012 0.0009 0.001
Loa Loa (eye worm) hypothetical protein 0.0052 0.1062 0.1055
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0392 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0123 0.0114
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0383 0.5
Leishmania major hypothetical protein, conserved 0.0121 0.2867 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0392 1 1
Onchocerca volvulus 0.0392 1 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0628 0.0619
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0392 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.2867 1
Brugia malayi BRM protein 0.007 0.154 0.1532
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0123 0.0132
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0123 0.0132
Echinococcus granulosus voltage dependent calcium channel subunit 0.0367 0.9319 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.016 0.389 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0167 0.4069 0.4366
Echinococcus multilocularis GPCR, family 2 0.0017 0.0123 0.0132
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0114
Echinococcus granulosus GPCR family 2 0.0017 0.0123 0.0132
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0365 0.9271 0.9039
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.2867 1
Echinococcus multilocularis BRK domain 0.0012 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0026 0.0383 0.0375
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0121 0.2867 0.2849
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0392 1 0.5
Loa Loa (eye worm) BRM protein 0.0036 0.0646 0.0638
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0123 0.0132
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0081 0.1806 0.4644
Loa Loa (eye worm) BRM protein 0.0045 0.0871 0.0863

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 24 Gastroprotective activity against ethanol-induced gastric ulcer in fasted rat accessed as number of ulcer at 20 mg/kg, ip ChEMBL. 17346862
Activity (functional) = 36 mm Gastroprotective activity against ethanol-induced gastric ulcer in fasted rat accessed as gastric ulcer index at 20 mg/kg, ip ChEMBL. 17346862
Preventive_index (functional) = 29 Preventive index against ethnol-induced gastric ulcer rat in treated group to control group ChEMBL. 17346862

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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