Detailed information for compound 47668

Basic information

Technical information
  • TDR Targets ID: 47668
  • Name: disodium 6-ethoxy-4-oxo-10-propylpyrano[3,2-g ]quinoline-2,8-dicarboxylate
  • MW: 415.304 | Formula: C19H15NNa2O7
  • H donors: 0 H acceptors: 6 LogP: 4.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1c2nc(cc(c2cc2c1oc(cc2=O)C(=O)[O-])OCC)C(=O)[O-].[Na+].[Na+]
  • InChi: 1S/C19H17NO7.2Na/c1-3-5-9-16-11(14(26-4-2)7-12(20-16)18(22)23)6-10-13(21)8-15(19(24)25)27-17(9)10;;/h6-8H,3-5H2,1-2H3,(H,22,23)(H,24,25);;/q;2*+1/p-2
  • InChiKey: GBUTZGNPWBBPAU-UHFFFAOYSA-L  


Substructure search Similarity search

Network

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Synonyms

  • disodium 6-ethoxy-4-oxo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate
  • disodium 6-ethoxy-4-keto-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate
  • disodium 6-ethoxy-4-oxo-10-propylpyrano[5,6-g]quinoline-2,8-dicarboxylate
  • disodium 6-ethoxy-4-oxo-10-propyl-pyrano[5,6-g]quinoline-2,8-dicarboxylate
  • disodium 6-ethoxy-4-keto-10-propyl-pyrano[5,6-g]quinoline-2,8-dicarboxylate

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 hydroxymethylglutaryl coenzyme A reductase 0.2861 1 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.2861 1 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1342 0 0.5
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1342 0 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2861 1 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1342 0 0.5
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2861 1 0.5
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.2861 1 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1342 0 0.5
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.2861 1 0.5
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.2861 1 0.5
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.2861 1 0.5
Loa Loa (eye worm) hypothetical protein 0.2861 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity index (functional) = 3.2 Activity index by dog hypotension screen assay at 10 ug/Kg per min for 15 min. ChEMBL. 2999403
ID50 (functional) = 0.3 mg kg-1 Inhibitory dose by PCA test in rat peritoneal mast cells. ChEMBL. 2999403
Inhibition (functional) = 32 % Percent inhibition by dog hypotension screen assay at 10 ug/Kg per min for 15 min. ChEMBL. 2999403
Log PR (ADMET) = -0.4 log PR value ChEMBL. 2455052
Potency ratio (functional) = 0.4 In vitro inhibition of anti-IgE induced histamine release from bronchoalveolar mast cells of monkey infected with Ascaris suum ChEMBL. 2455052
Potency ratio (functional) = 8.47 Potency ratio of the compound to that of sodium cromoglycate (1.0) using PCA test. ChEMBL. 2999403

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

2 literature references were collected for this gene.

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