Detailed information for compound 154812

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 276.331 | Formula: C15H20N2O3
  • H donors: 3 H acceptors: 2 LogP: 0.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CC2N=C(OC2C(C1O)O)NCc1ccccc1
  • InChi: 1S/C15H20N2O3/c1-9-7-11-14(13(19)12(9)18)20-15(17-11)16-8-10-5-3-2-4-6-10/h2-6,9,11-14,18-19H,7-8H2,1H3,(H,16,17)
  • InChiKey: SQYGXBVKOHRQNO-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
Giardia lamblia NADH oxidase lateral transfer candidate 0.0049 0 0.5
Toxoplasma gondii thioredoxin reductase 0.0142 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0049 0 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0142 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0049 0 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0049 0 0.5
Plasmodium falciparum glutathione reductase 0.0142 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0142 1 0.5
Brugia malayi Thioredoxin reductase 0.0142 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0049 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0049 0 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0049 0 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0142 1 1
Treponema pallidum NADH oxidase 0.0049 0 0.5
Leishmania major trypanothione reductase 0.0142 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0049 0 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0049 0 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0142 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0049 0 0.5
Plasmodium vivax glutathione reductase, putative 0.0142 1 1
Trypanosoma brucei trypanothione reductase 0.0142 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0142 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0142 1 1
Plasmodium falciparum thioredoxin reductase 0.0142 1 1
Loa Loa (eye worm) glutathione reductase 0.0142 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) uM Inhibitory activity of the compound against Beta-galactosidase in bovine liver was determined;NI means no inhibition ChEMBL. 12270152
IC50 (binding) 0 uM Inhibitory activity of the compound against Beta-galactosidase in bovine liver was determined;NI means no inhibition ChEMBL. 12270152
IC50 (binding) = 72 uM Inhibition of bovine kidney alpha-L-fucosidase ChEMBL. 12270152
IC50 (binding) = 72 uM Inhibition of bovine kidney alpha-L-fucosidase ChEMBL. 12270152

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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