Detailed information for compound 311416

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.435 | Formula: C22H23N3O6
  • H donors: 3 H acceptors: 4 LogP: 3.21 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=O)Nc1c(O)nc(c2c1cc(OC)c(c2)OC)C
  • InChi: 1S/C22H23N3O6/c1-5-31-21(27)13-6-8-14(9-7-13)24-22(28)25-19-16-11-18(30-4)17(29-3)10-15(16)12(2)23-20(19)26/h6-11H,5H2,1-4H3,(H,23,26)(H2,24,25,28)
  • InChiKey: RLNSAILMJXNVHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0184 0.0493 0.0094
Trichomonas vaginalis pten, drome, putative 0.0157 0.0409 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0161 0.0421 0.0014
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0184 0.0493 0.0087
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.3275 0.9988 0.9987
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0177 0.047 0.0069
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0181 0.0483 0.0518
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0181 0.0483 0.0077
Schistosoma mansoni protein tyrosine phosphatase 0.0161 0.0421 0.0014
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.3275 0.9988 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0181 0.0483 0.0083
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0157 0.0409 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0184 0.0493 0.0087
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0161 0.0421 0.0013
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0157 0.0409 0.0439
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0177 0.047 0.0064
Brugia malayi Protein-tyrosine phosphatase containing protein 0.3057 0.9318 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Brugia malayi Protein-tyrosine phosphatase 0.0161 0.0421 0.0014
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein tyrosine phosphatase 0.0157 0.0409 0.0439
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0177 0.047 0.0064
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0184 0.0493 0.0087
Giardia lamblia Protein tyrosine phosphatase 0.0157 0.0409 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0161 0.0421 0.0013
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0177 0.047 0.0064
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0184 0.0493 0.0087
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Trypanosoma brucei protein tyrosine phosphatase 1 0.0157 0.0409 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0157 0.0409 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.3057 0.9318 1
Onchocerca volvulus 0.0177 0.047 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.3057 0.9318 0.9289
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.3057 0.9318 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0181 0.0483 0.0077
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Leishmania major tyrosine specific protein phosphatase, putative 0.0177 0.047 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0184 0.0493 0.0087
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0161 0.0421 0.0014
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0177 0.047 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.3057 0.9318 0.9301
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0181 0.0483 0.0083
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Loa Loa (eye worm) hypothetical protein 0.0157 0.0409 0.0439
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0409 0.0439
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0157 0.0409 0.5
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0177 0.047 1

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -4 % Percent change in renal vascular resistant e by 1.2 mg/kg of compound administered intravenously in dog ChEMBL. 2709385
Change (functional) = -2 % Percent change in mean arterial blood pressure by 1.2 mg/kg of compound administered intravenously in dog ChEMBL. 2709385
Change (functional) = -1 % Percent change in heart rate by 1.2 mg/kg of compound administered intravenously in dog ChEMBL. 2709385
Change (functional) = 2 % Percent change in renal blood flow by 1.2 mg/kg of compound administered intravenously in dog ChEMBL. 2709385

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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