Detailed information for compound 1523592

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.443 | Formula: C20H24N6O3
  • H donors: 0 H acceptors: 5 LogP: 2.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC(CC1)n1nnc(c1)c1noc(n1)c1ccccc1)OC(C)(C)C
  • InChi: 1S/C20H24N6O3/c1-20(2,3)28-19(27)25-11-9-15(10-12-25)26-13-16(22-24-26)17-21-18(29-23-17)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
  • InChiKey: GJJQAOUCVCVBOG-UHFFFAOYSA-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
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1536 0.3586
Schistosoma mansoni hypothetical protein 0.0035 0.0347 0.0712
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1536 1
Entamoeba histolytica hypothetical protein 0.0035 0.0347 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.1014 0.1122
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0256 0.0237
Schistosoma mansoni hypothetical protein 0.0033 0.0256 0.0491
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1536 0.3586
Brugia malayi hypothetical protein 0.0035 0.0347 0.0344
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1536 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0347 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1536 0.3667
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0112 0.4189 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0347 0.0712
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1536 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0347 0.0829
Brugia malayi Peptidase family M28 containing protein 0.0112 0.4189 0.4829
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1536 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1536 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.8618 1
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0112 0.4189 1
Onchocerca volvulus Glutaminyl cyclase homolog 0.0112 0.4189 0.4158
Loa Loa (eye worm) hypothetical protein 0.0112 0.4189 0.4829
Loa Loa (eye worm) hypothetical protein 0.0033 0.0256 0.0237
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0347 0.0712
Brugia malayi Pre-SET motif family protein 0.0201 0.8618 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1014 0.1122
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1014 0.1122
Entamoeba histolytica hypothetical protein 0.0035 0.0347 0.5
Trichomonas vaginalis set domain proteins, putative 0.0229 1 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0347 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1014 0.1122
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1536 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0053 0.0126
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1536 0.3586
Plasmodium vivax SET domain protein, putative 0.0029 0.0053 0.5
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0112 0.4189 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 80 ug ml-1 Antifungal activity against Candida albicans ChEMBL. 21324567
MIC (functional) = 120 ug ml-1 Antifungal activity against Cryptococcus neoformans ChEMBL. 21324567

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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