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

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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