Detailed information for compound 57481

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.311 | Formula: C12H25N2O5P
  • H donors: 4 H acceptors: 5 LogP: -1.55 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C[C@@H](C(=O)O)NC(=O)P(=O)(C(CC(C)C)N)O)C
  • InChi: 1S/C12H25N2O5P/c1-7(2)5-9(11(15)16)14-12(17)20(18,19)10(13)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)/t9-,10?/m0/s1
  • InChiKey: DAMWIDFVIJLVBK-RGURZIINSA-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
Echinococcus multilocularis glutathione S transferase 0.0103 0.075 0.4467
Mycobacterium ulcerans hypothetical protein 0.0182 0.1765 1
Echinococcus multilocularis glutathione S transferase 0.014 0.1221 1
Onchocerca volvulus Lactoylglutathione lyase homolog 0.0787 0.9548 1
Mycobacterium tuberculosis Conserved protein TB27.3 0.0182 0.1765 1
Echinococcus multilocularis glutathione S transferase 0.014 0.1221 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0182 0.1765 1
Schistosoma mansoni glutathione-S-transferase 0.014 0.1221 0.6097
Mycobacterium ulcerans glyoxalase GloA 0.0182 0.1765 1
Echinococcus granulosus glutathione s transferase mu 0.014 0.1221 0.1492
Plasmodium falciparum glyoxalase I 0.0182 0.1765 0.152
Echinococcus multilocularis glutathione S transferase 0.0103 0.075 0.4467
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.1765 1
Mycobacterium tuberculosis Cadmium inducible protein CadI 0.0182 0.1765 1
Echinococcus granulosus glutathione S transferase 0.0103 0.075 0.0666
Schistosoma mansoni 4-hydroxyphenylpyruvate dioxygenase 0.0182 0.1765 1
Onchocerca volvulus Putative protein 0.0182 0.1765 0.1727
Brugia malayi lactoylglutathione lyase 0.0787 0.9548 0.9531
Schistosoma mansoni gynecophoral canal protein 0.0182 0.1765 1
Onchocerca volvulus 0.0103 0.075 0.0648
Mycobacterium ulcerans hypothetical protein 0.0182 0.1765 1
Mycobacterium tuberculosis Conserved protein 0.0182 0.1765 1
Echinococcus multilocularis glutathione s transferase mu 0.014 0.1221 1
Brugia malayi 4-hydroxyphenylpyruvate dioxygenase family protein 0.0182 0.1765 0.1448
Trichomonas vaginalis glutaminyl-tRNA synthetase, putative 0.0103 0.075 0.2723
Mycobacterium ulcerans biphenyl-2,3-diol 1,2-dioxygenase 0.0182 0.1765 1
Loa Loa (eye worm) 4-hydroxyphenylpyruvate dioxygenase 0.0182 0.1765 0.1448
Loa Loa (eye worm) hypothetical protein 0.0787 0.9548 0.9531
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.1765 1
Plasmodium vivax glutathione S-transferase, putative 0.014 0.1221 0.0926
Trypanosoma cruzi lactoylglutathione lyase-like protein, putative 0.0787 0.9548 1
Leishmania major glyoxalase I,trypanothione-dependent glyoxalase I 0.0787 0.9548 1
Plasmodium falciparum glyoxalase I 0.0787 0.9548 1
Brugia malayi Glutathione S-transferase 4 0.0103 0.075 0.0394
Plasmodium vivax glyoxalase I, putative 0.0787 0.9548 1
Plasmodium falciparum glutathione S-transferase 0.014 0.1221 0.0926
Mycobacterium ulcerans hypothetical protein 0.0182 0.1765 1
Mycobacterium ulcerans hypothetical protein 0.0182 0.1765 1
Echinococcus multilocularis glutathione S transferase 0.014 0.1221 1
Mycobacterium leprae conserved hypothetical protein 0.0182 0.1765 1
Toxoplasma gondii glyoxalase family protein 0.0182 0.1765 0.152
Mycobacterium ulcerans hypothetical protein 0.0182 0.1765 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.075 0.0394
Echinococcus multilocularis prostaglandin H2 D isomerase 0.014 0.1221 1
Toxoplasma gondii glyoxalase I, putative 0.0787 0.9548 1
Schistosoma mansoni GST class-mu 0.014 0.1221 0.6097
Loa Loa (eye worm) hypothetical protein 0.0822 1 1
Mycobacterium tuberculosis Conserved protein 0.0182 0.1765 1
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.0074 0.037 0.5
Echinococcus multilocularis glutathione S-transferase 0.014 0.1221 1
Mycobacterium ulcerans hypothetical protein 0.0182 0.1765 1
Echinococcus granulosus glutathione S transferase 0.014 0.1221 0.1492
Schistosoma mansoni Glutathione S-transferase 28 kDa (GST 28) (GST class-mu) 0.014 0.1221 0.6097
Mycobacterium ulcerans glyoxalase GloA 0.0182 0.1765 1
Echinococcus granulosus glutathione S transferase Mu 1 0.0517 0.6071 1
Trypanosoma cruzi lactoylglutathione lyase-like protein, putative 0.0787 0.9548 1
Echinococcus granulosus prostaglandin H2 D isomerase 0.014 0.1221 0.1492
Plasmodium vivax glyoxalase I, putative 0.0182 0.1765 0.152

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 56 uM Inhibition of Leucine aminopeptidase isolated from porcine kidney. ChEMBL. 3625708
Ki (binding) = 56 uM Inhibition of Leucine aminopeptidase isolated from porcine kidney. ChEMBL. 3625708

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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