Detailed information for compound 1177277

Basic information

Technical information
  • TDR Targets ID: 1177277
  • Name: (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxybutanoy l]amino]-4-methylpentanoate
  • MW: 232.277 | Formula: C10H20N2O4
  • H donors: 4 H acceptors: 4 LogP: -2.55 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C[C@@H](C(=O)O)NC(=O)[C@H]([C@H](O)C)N)C
  • InChi: 1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+,8+/m1/s1
  • InChiKey: BQBCIBCLXBKYHW-CSMHCCOUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxy-butanoyl]amino]-4-methyl-pentanoate
  • (2S)-2-[[(2S,3R)-2-ammonio-3-hydroxy-1-oxobutyl]amino]-4-methylpentanoate
  • (2S)-2-[[(2S,3R)-2-ammonio-3-hydroxy-butanoyl]amino]-4-methyl-valerate
  • ZINC02575129

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
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.005 0.0505 0.5
Onchocerca volvulus 0.0484 0.769 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.005 0.0505 0.0575
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0236 0.3585 0.3516
Echinococcus granulosus aminopeptidase N 0.0484 0.769 1
Schistosoma mansoni aminopeptidase A (M01 family) 0.005 0.0505 0.1246
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0064 0.0729 0.0629
Mycobacterium ulcerans aminopeptidase N PepN 0.0143 0.2035 1
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0236 0.3585 0.4615
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0143 0.2035 0.2582
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0143 0.2035 0.2582
Loa Loa (eye worm) hypothetical protein 0.0434 0.686 0.686
Loa Loa (eye worm) hypothetical protein 0.0092 0.1205 0.1205
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0143 0.2035 0.2582
Brugia malayi Peptidase family M1 containing protein 0.0143 0.2035 0.1949
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.005 0.0505 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0143 0.2035 1
Brugia malayi hypothetical protein 0.005 0.0505 0.0403
Loa Loa (eye worm) hypothetical protein 0.005 0.0505 0.0505
Echinococcus multilocularis nmda type glutamate receptor 0.0027 0.0127 0.0078
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0125 0.1752 0.1663
Echinococcus multilocularis aminopeptidase N 0.0484 0.769 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0143 0.2035 0.2582
Trypanosoma brucei Aminopeptidase M1, putative 0.0143 0.2035 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0143 0.2035 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.005 0.0505 0.1246
Entamoeba histolytica aminopeptidase, putative 0.0143 0.2035 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.1205 0.1493
Loa Loa (eye worm) hypothetical protein 0.0236 0.3585 0.3585
Trypanosoma brucei Aminopeptidase M1, putative 0.0143 0.2035 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0143 0.2035 0.2582
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0143 0.2035 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.5331 0.5331
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0062 0.0698 0.0598
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0143 0.2035 0.2582
Loa Loa (eye worm) leukotriene A4 hydrolase 0.005 0.0505 0.0505
Brugia malayi hypothetical protein 0.0143 0.2035 0.1949
Echinococcus granulosus puromycin sensitive aminopeptidase 0.005 0.0505 0.0575
Toxoplasma gondii aminopeptidase N, putative 0.005 0.0505 0.5
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0092 0.1205 0.3236
Loa Loa (eye worm) peptidase family M1 containing protein 0.0392 0.616 0.616
Onchocerca volvulus 0.0143 0.2035 0.2129
Loa Loa (eye worm) hypothetical protein 0.005 0.0505 0.0505
Plasmodium falciparum M1-family alanyl aminopeptidase 0.005 0.0505 0.5
Schistosoma mansoni peptidylglycine monooxygenase 0.0125 0.1752 0.479
Mycobacterium ulcerans aminopeptidase N PepN 0.005 0.0505 0.2482
Brugia malayi Peptidase family M1 containing protein 0.005 0.0505 0.0403
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.005 0.0505 0.5
Loa Loa (eye worm) hypothetical protein 0.0092 0.1205 0.1205
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0143 0.2035 0.2582
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0092 0.1205 0.4578
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0236 0.3585 0.4615
Echinococcus granulosus puromycin sensitive aminopeptidase 0.005 0.0505 0.0575
Loa Loa (eye worm) aminopeptidase N 0.0143 0.2035 0.2035
Brugia malayi Peptidase family M1 containing protein 0.0484 0.769 0.7665
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0143 0.2035 0.5593
Echinococcus multilocularis leukotriene A 4 hydrolase 0.005 0.0505 0.0575
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0143 0.2035 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0143 0.2035 1
Schistosoma mansoni dopamine-beta-monooxygenase 0.0125 0.1752 0.479
Loa Loa (eye worm) lethal(1)discs large-1 tumor suppressor 0.0022 0.0045 0.0045
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0143 0.2035 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0143 0.2035 0.2582
Toxoplasma gondii aminopeptidase n, putative 0.005 0.0505 0.5
Loa Loa (eye worm) TATA binding protein associated factor 0.005 0.0505 0.0505
Trypanosoma cruzi Aminopeptidase M1, putative 0.0143 0.2035 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.005 0.0505 0.1246
Loa Loa (eye worm) hypothetical protein 0.0125 0.1752 0.1752
Echinococcus granulosus nmda type glutamate receptor 0.0027 0.0127 0.0078
Toxoplasma gondii aminopeptidase N protein 0.005 0.0505 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0143 0.2035 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0505 0.0505
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0027 0.0127 0.0078
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0143 0.2035 0.5593
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0143 0.2035 0.2582
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0236 0.3585 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0143 0.2035 0.2582
Brugia malayi TATA binding protein associated factor 0.005 0.0505 0.0403

Activities

No activities found for this compound.

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

Bibliographic References

No literature references available for this target.

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