Detailed information for compound 1280271

Basic information

Technical information
  • TDR Targets ID: 1280271
  • Name: methyl 2-amino-7-methyl-6-(2-morpholin-4-ylet hyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[5,6-c]pyr idine-3-carboxylate
  • MW: 426.466 | Formula: C22H26N4O5
  • H donors: 1 H acceptors: 3 LogP: 0.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=C(N)Oc2c(C1c1cccnc1)c(=O)n(c(c2)C)CCN1CCOCC1
  • InChi: 1S/C22H26N4O5/c1-14-12-16-18(21(27)26(14)7-6-25-8-10-30-11-9-25)17(15-4-3-5-24-13-15)19(20(23)31-16)22(28)29-2/h3-5,12-13,17H,6-11,23H2,1-2H3
  • InChiKey: JBJJFSZYRCIWMW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 2-amino-7-methyl-6-(2-morpholinoethyl)-5-oxo-4-(3-pyridyl)-4H-pyrano[5,6-c]pyridine-3-carboxylate
  • 2-amino-7-methyl-6-(2-morpholinoethyl)-5-oxo-4-(3-pyridyl)-4H-pyrano[5,6-c]pyridine-3-carboxylic acid methyl ester
  • 2-amino-5-keto-7-methyl-6-(2-morpholinoethyl)-4-(3-pyridyl)-4H-pyrano[5,6-c]pyridine-3-carboxylic acid methyl ester
  • MLS000083975
  • SMR000047240

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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 nuclear receptor 2DBD gamma 0.0012 0.043 0.0743
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0011 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.043 0.0743
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.043 0.0743
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.043 0.0743
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.043 0.0743
Onchocerca volvulus 0.0033 0.5788 1
Echinococcus multilocularis lamin 0.0033 0.5788 1
Schistosoma mansoni coup transcription factor 0.0012 0.043 0.0743
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.1354 0.2339
Brugia malayi nuclear hormone receptor 0.0012 0.043 0.043
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.2296 0.2296
Trypanosoma brucei cytochrome P450, putative 0.0019 0.2296 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.043 0.0743
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.043 0.043
Onchocerca volvulus 0.0033 0.5788 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0011 0 0.5
Loa Loa (eye worm) CYP4Cod1 0.0019 0.2296 0.2296
Echinococcus multilocularis lamin dm0 0.0033 0.5788 1
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.2296 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.043 0.0743
Echinococcus multilocularis musashi 0.0033 0.5788 1
Echinococcus granulosus lamin dm0 0.0033 0.5788 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.5788 0.5788
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.043 0.0743
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.043 0.043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.043 0.043
Echinococcus granulosus FTZ F1 alpha 0.0012 0.043 0.0743
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.043 0.043
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.043 0.0743
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0011 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.043 0.043
Brugia malayi Cytochrome P450 family protein 0.0019 0.2296 0.2296
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0011 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.043 0.0743
Echinococcus granulosus lamin 0.0033 0.5788 1
Schistosoma mansoni lamin 0.0033 0.5788 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0012 0.043 0.043
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.043 0.0743
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.043 0.0743
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0011 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.043 0.043
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.043 0.043
Schistosoma mansoni intermediate filament proteins 0.0033 0.5788 1
Schistosoma mansoni lamin 0.0033 0.5788 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.043 0.043
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.043 0.043
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.043 0.043
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0011 0 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.1354 0.2339
Echinococcus granulosus intermediate filament protein 0.0033 0.5788 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.5631 0.5631
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0033 0.5788 0.5788
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0011 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.043 0.043
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.2296 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.2296 0.2296
Loa Loa (eye worm) hypothetical protein 0.0012 0.043 0.043
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.043 0.0743
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0012 0.043 0.043
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.043 0.043
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.043 0.043
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1809 0.1809
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0011 0 0.5
Brugia malayi intermediate filament protein 0.0033 0.5788 0.5788
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0011 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.043 0.0743
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1809 0.1809
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0011 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.043 0.0743
Mycobacterium leprae Conserved hypothetical protein 0.0011 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.043 0.043
Brugia malayi steroid hormone receptor 0.0012 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0012 0.043 0.043
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.043 0.043
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.043 0.043
Schistosoma mansoni nuclear hormone receptor 0.0012 0.043 0.0743
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.043 0.0743
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.043 0.043
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.043 0.0743
Brugia malayi ecdysteroid receptor 0.0012 0.043 0.043
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.043 0.0743
Schistosoma mansoni thyroid hormone receptor 0.0012 0.043 0.0743
Leishmania major cytochrome p450-like protein 0.0019 0.2296 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0012 0.043 0.043
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0011 0 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.5788 0.5788
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.043 0.043
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.5788 0.5788
Schistosoma mansoni thyroid hormone receptor 0.0012 0.043 0.0743
Loa Loa (eye worm) hypothetical protein 0.0015 0.1197 0.1197
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.043 0.0743
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.043 0.043
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0011 0 0.5
Mycobacterium leprae putative cytochrome p450 0.0011 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0012 0.043 0.043
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.043 0.0743
Loa Loa (eye worm) hypothetical protein 0.0015 0.1197 0.1197
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0011 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0011 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 1 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0011 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.043 0.0743
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.043 0.043
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.043 0.0743
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.2296 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.043 0.043
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.043 0.0743
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0011 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0011 0 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0011 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0011 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.043 0.0743
Loa Loa (eye worm) hypothetical protein 0.0016 0.1354 0.1354
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.2296 0.2296
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.043 0.0743
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.043 0.043
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.043 0.043
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.043 0.0743

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2512 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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