Detailed information for compound 953915

Basic information

Technical information
  • TDR Targets ID: 953915
  • Name: (2S,3R)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)et hylamino]-3-hydroxybutanoic acid
  • MW: 261.315 | Formula: C12H23NO5
  • H donors: 3 H acceptors: 3 LogP: -1.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]([C@@H](C(=O)O)NCCC1OCC(CO1)(C)C)O
  • InChi: 1S/C12H23NO5/c1-8(14)10(11(15)16)13-5-4-9-17-6-12(2,3)7-18-9/h8-10,13-14H,4-7H2,1-3H3,(H,15,16)/t8-,10+/m1/s1
  • InChiKey: LITZFHCCYAGCBQ-SCZZXKLOSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (2S,3R)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-3-hydroxy-butanoic acid
  • (2S,3R)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-3-hydroxy-butyric acid

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
Loa Loa (eye worm) glutamate receptor 1 0.0347 0.0389 0.0175
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0413 0.0799 0.0799
Echinococcus granulosus para nitrobenzyl esterase 0.032 0.0219 0.0219
Echinococcus granulosus family S9 non peptidase ue S09 family 0.032 0.0219 0.0219
Echinococcus granulosus nmda type glutamate receptor 0.0638 0.2199 0.2199
Echinococcus multilocularis glutamate receptor NMDA 0.051 0.14 0.14
Echinococcus multilocularis glutamate receptor 2 0.0413 0.0799 0.0799
Schistosoma mansoni ATP-binding cassette transporter 0.0347 0.0389 0.0175
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0413 0.0799 0.0799
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0413 0.0799 0.0799
Schistosoma mansoni glutamate receptor AMPA 0.0347 0.0389 0.0175
Brugia malayi Carboxylesterase family protein 0.1893 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1893 1 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0663 0.2353 1
Schistosoma mansoni glutamate receptor kainate 0.0347 0.0389 0.0175
Echinococcus multilocularis acetylcholinesterase 0.1893 1 1
Loa Loa (eye worm) hypothetical protein 0.1893 1 1
Schistosoma mansoni glutamate receptor kainate 0.0347 0.0389 0.0175
Trichomonas vaginalis spcc417.12 protein, putative 0.032 0.0219 0.5
Echinococcus granulosus neuroligin 0.032 0.0219 0.0219
Echinococcus multilocularis nmda type glutamate receptor 0.0638 0.2199 0.2199
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.032 0.0219 0.0219
Echinococcus granulosus acetylcholinesterase 0.1893 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.032 0.0219 0.0219
Schistosoma mansoni glutamate receptor kainate 0.0347 0.0389 0.0175
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0413 0.0799 0.0799
Schistosoma mansoni glutamate receptor NMDA 0.0923 0.3969 0.3834
Schistosoma mansoni glutamate receptor NMDA 0.0946 0.4111 0.3979
Brugia malayi Glutamate receptor 2 precursor 0.0347 0.0389 0.0175
Onchocerca volvulus 0.032 0.0219 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0576 0.1809 0.1809
Echinococcus multilocularis glutamate receptor 2 0.0347 0.0389 0.0389
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.032 0.0219 0.5
Echinococcus granulosus BC026374 protein S09 family 0.032 0.0219 0.0219
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0413 0.0799 0.0799
Loa Loa (eye worm) carboxylesterase 0.1893 1 1
Loa Loa (eye worm) glutamate receptor 2 0.0347 0.0389 0.0175
Echinococcus granulosus acetylcholinesterase 0.1893 1 1
Loa Loa (eye worm) hypothetical protein 0.1893 1 1
Onchocerca volvulus 0.032 0.0219 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.032 0.0219 0.0219
Echinococcus granulosus carboxylesterase 5A 0.1893 1 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0946 0.4111 0.4111
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1893 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0413 0.0799 0.0799
Schistosoma mansoni glutamate receptor AMPA 0.0347 0.0389 0.0175
Echinococcus granulosus glutamate receptor 2 0.0413 0.0799 0.0799
Echinococcus multilocularis acetylcholinesterase 0.1893 1 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0616 0.2063 1
Echinococcus granulosus glutamate receptor NMDA 0.051 0.14 0.14
Brugia malayi Glutamate receptor 1 precursor 0.0347 0.0389 0.0175
Echinococcus multilocularis neuroligin 0.032 0.0219 0.0219
Echinococcus granulosus nmda type glutamate receptor 0.0576 0.1809 0.1809
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0413 0.0799 0.0799
Onchocerca volvulus 0.032 0.0219 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0663 0.2353 1
Onchocerca volvulus 0.032 0.0219 0.5
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0946 0.4111 0.4111
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0413 0.0799 0.0799
Echinococcus multilocularis carboxylesterase 5A 0.1893 1 1
Onchocerca volvulus 0.032 0.0219 0.5

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.
 
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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