Detailed information for compound 1837056

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 288.299 | Formula: C15H16N2O4
  • H donors: 1 H acceptors: 2 LogP: 1.82 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN1C(C/C(=N/O)/C(C1c1ccco1)C)c1ccco1
  • InChi: 1S/C15H16N2O4/c1-10-11(16-19)8-12(13-4-2-6-20-13)17(9-18)15(10)14-5-3-7-21-14/h2-7,9-10,12,15,19H,8H2,1H3/b16-11-
  • InChiKey: SRDDQEHBLGWYDY-WJDWOHSUSA-N  

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
Brugia malayi Peptidase family M28 containing protein 0.0388 0.5344 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0596 0.1115
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0388 0.5344 0.5344
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0388 0.5344 0.5344
Onchocerca volvulus Fxna peptidase homolog 0.0062 0.0596 0.1115
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0062 0.0596 0.0596
Leishmania major hypothetical protein, conserved 0.0062 0.0596 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0062 0.0596 0.1115
Loa Loa (eye worm) hypothetical protein 0.0062 0.0596 0.1115
Loa Loa (eye worm) leucyl aminopeptidase 0.0062 0.0596 0.1115
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0596 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0596 0.5
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0062 0.0596 0.0596
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0062 0.0596 0.0596
Toxoplasma gondii peptidase, M28 family protein 0.0062 0.0596 0.5
Onchocerca volvulus Glutaminyl cyclase homolog 0.0388 0.5344 1
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0596 0.5
Toxoplasma gondii hypothetical protein 0.0062 0.0596 0.5
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0062 0.0596 0.0596
Loa Loa (eye worm) hypothetical protein 0.0388 0.5344 1
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0062 0.0596 0.0596
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0062 0.0596 0.0596
Trypanosoma brucei glutaminyl cyclase, putative 0.0062 0.0596 0.5
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0062 0.0596 0.5
Schistosoma mansoni Fxna peptidase (M28 family) 0.0062 0.0596 0.0596
Schistosoma mansoni tyrosine kinase 0.0692 0.9764 0.9764
Trypanosoma cruzi glutaminyl cyclase, putative 0.0062 0.0596 0.5
Trypanosoma cruzi glutaminyl cyclase, putative 0.0062 0.0596 0.5
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0062 0.0596 0.0596
Schistosoma mansoni nicalin (M28 family) 0.0062 0.0596 0.0596
Mycobacterium ulcerans hypothetical protein 0.0062 0.0596 0.5
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0062 0.0596 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0596 0.1115
Leishmania major glutaminyl cyclase, putative 0.0062 0.0596 0.5
Mycobacterium tuberculosis Conserved protein 0.0062 0.0596 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0062 0.0596 0.1115
Brugia malayi FXNA 0.0062 0.0596 0.1115
Onchocerca volvulus 0.0062 0.0596 0.1115
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0388 0.5344 0.5344
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0062 0.0596 0.5
Brugia malayi leucyl aminopeptidase 0.0062 0.0596 0.1115
Brugia malayi nicalin 0.0062 0.0596 0.1115
Loa Loa (eye worm) hypothetical protein 0.0062 0.0596 0.1115

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 50 ug ml-1 Antibacterial activity against Escherichia coli after 24 hr by two-fold serial dilution method 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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