Detailed information for compound 1453007

Basic information

Technical information
  • TDR Targets ID: 1453007
  • Name: methyl 2-amino-4-(2,5-dimethoxyphenyl)-7-meth yl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[5,6 -c]pyridine-3-carboxylate
  • MW: 463.483 | Formula: C25H25N3O6
  • H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)C1C(=C(N)Oc2c1c(=O)n(c(c2)C)Cc1cccnc1)C(=O)OC)OC
  • InChi: 1S/C25H25N3O6/c1-14-10-19-21(24(29)28(14)13-15-6-5-9-27-12-15)20(22(23(26)34-19)25(30)33-4)17-11-16(31-2)7-8-18(17)32-3/h5-12,20H,13,26H2,1-4H3
  • InChiKey: IROLJLGEGYUBOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-amino-4-(2,5-dimethoxyphenyl)-7-methyl-5-oxo-6-(3-pyridylmethyl)-4H-pyrano[5,6-c]pyridine-3-carboxylate
  • 2-amino-4-(2,5-dimethoxyphenyl)-7-methyl-5-oxo-6-(3-pyridylmethyl)-4H-pyrano[5,6-c]pyridine-3-carboxylic acid methyl ester
  • 2-amino-4-(2,5-dimethoxyphenyl)-5-keto-7-methyl-6-(3-pyridylmethyl)-4H-pyrano[5,6-c]pyridine-3-carboxylic acid methyl ester
  • MLS000080588
  • SMR000037438
  • STK166856

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0006 0.0006
Echinococcus granulosus tar DNA binding protein 0.0065 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0006 0.0006
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.8002 0.8002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8002 0.8002
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0053 0.7546 0.7546
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0006 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.7546 0.7546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8002 0.8002
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0006 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.4053 0.4053
Loa Loa (eye worm) TAR-binding protein 0.0065 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.4053 0.4053
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.8002 0.8002
Brugia malayi TAR-binding protein 0.0065 1 1
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Echinococcus multilocularis tar DNA binding protein 0.0065 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0006 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0006 0.0006
Brugia malayi isocitrate dehydrogenase 0.0017 0.0006 0.0006
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.7546 0.7546
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0006 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0006 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8002 0.8002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8002 0.8002
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0006 0.0006
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0006 0.5
Loa Loa (eye worm) RNA binding protein 0.0065 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8002 0.8002
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0006 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0006 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8002 0.8002
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0006 0.0006
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0006 0.0006
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0006 0.0006
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0006 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.4053 0.4053
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.7546 0.7546
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8002 0.8002
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0006 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0006 0.0006

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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