Detailed information for compound 513219

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 453.446 | Formula: C26H19N3O5
  • H donors: 2 H acceptors: 3 LogP: 2.59 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@]1(O)C[C@@H]2O[C@H]1n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O
  • InChi: 1S/C26H19N3O5/c1-33-25(31)26(32)10-17-28-15-8-4-3-7-13(15)19-20-14(11-27-23(20)30)18-12-6-2-5-9-16(12)29(24(26)34-17)21(18)22(19)28/h2-9,17,24,32H,10-11H2,1H3,(H,27,30)/t17-,24+,26-/m0/s1
  • InChiKey: LXOIGFZMICTNAL-NLRIEGLYSA-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
Echinococcus multilocularis endothelin converting enzyme 1 0.0093 0.0146 0.0509
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0093 0.0146 0.0146
Onchocerca volvulus 0.0049 0 0.5
Toxoplasma gondii peptidase family M13 protein 0.0093 0.0146 1
Trypanosoma cruzi aminopeptidase, putative 0.0049 0 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0049 0 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0049 0 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Mycobacterium leprae probable zinc metalloprotease 0.0093 0.0146 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0049 0 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0049 0 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0093 0.0146 0.0146
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0049 0 0.5
Echinococcus granulosus leukotriene A 4 hydrolase 0.0916 0.2872 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0146 0.0146
Brugia malayi hypothetical protein 0.0421 0.1233 0.1233
Brugia malayi Peptidase family M13 containing protein 0.0093 0.0146 0.0146
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.3069 1 1
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0049 0 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0049 0 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.0071 0.0071
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0916 0.2872 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0069 0.0066 0.0066
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0916 0.2872 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0093 0.0146 0.0509
Trypanosoma brucei aminopeptidase, putative 0.0049 0 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.0071 0.0071
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0049 0 0.5
Echinococcus granulosus endothelin converting enzyme 1 0.0093 0.0146 0.0509
Loa Loa (eye worm) peptidase family M13 containing protein 0.0069 0.0066 0.0066
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.007 0.0071 0.0071
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0049 0 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0049 0 0.5
Entamoeba histolytica aminopeptidase, putative 0.0049 0 0.5
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0916 0.2872 0.2872
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0049 0 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.0069 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0093 0.0146 0.0146
Trypanosoma cruzi Aminopeptidase M1, putative 0.0049 0 0.5
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.0071 0.0071
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0093 0.0146 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0049 0 0.5
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0049 0 0.5
Mycobacterium ulcerans zinc metalloprotease 0.0093 0.0146 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0069 0.0066 0.0066
Onchocerca volvulus 0.0049 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 65.58 % Effect on FYVE-RFP+ vesicle intensity per cell in human H4 cells after 4 hrs relative to control ChEMBL. 18024584
Activity (functional) = 70.33 % Effect on FYVE-RFP+ vesicle intensity per cell in human H4 cells after 8 hrs relative to control ChEMBL. 18024584
Activity (functional) = 76.86 % Effect on FYVE-RFP+ vesicle intensity per cell in human H4 cells after 2 hrs relative to control ChEMBL. 18024584
Activity (functional) = 81.16 % Increase in long-lived protein degradation in human H4 cells after 24 hrs relative to control ChEMBL. 18024584
Activity (functional) = 86.53 % Increase in long-lived protein degradation in human H4 cells after 2 hrs relative to control ChEMBL. 18024584
Activity (functional) = 87 % Increase in long-lived protein degradation in human H4 cells after 1 hr relative to control ChEMBL. 18024584
Activity (functional) = 94.7 % Increase in long-lived protein degradation in human H4 cells after 4 hrs relative to control ChEMBL. 18024584
Activity (functional) = 101.89 % Induction of light chain 3-GFP level in human H4 cells at 0.5 uM after 24 hrs by high throughput fluorescence microscopy relative to control ChEMBL. 18024584
Activity (functional) = 163.88 % Increase in light chain 3-GFP+ autophagosome vesicle number per cell in human H4 cells at 0.5 uM after 24 hrs by high throughput fluorescence microscopy relative to control ChEMBL. 18024584
Activity (functional) = 189.65 % Increase in light chain 3-GFP+ autophagosome vesicle area per cell in human H4 cells at 0.5 uM after 24 hrs by high throughput fluorescence microscopy relative to control ChEMBL. 18024584
Activity (functional) = 215.29 % Increase in light chain 3-GFP+ autophagosome vesicle intensity per cell in human H4 cells at 0.5 uM after 24 hrs by high throughput fluorescence microscopy relative to control ChEMBL. 18024584

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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