Detailed information for compound 208343

Basic information

Technical information
  • TDR Targets ID: 208343
  • Name: 2-amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid
  • MW: 211.215 | Formula: C10H13NO4
  • H donors: 4 H acceptors: 4 LogP: -2.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(CC(c1cccc(c1)O)O)N
  • InChi: 1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)
  • InChiKey: APPLEPDDBNLZPX-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-azanyl-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid
  • 2-amino-4-hydroxy-4-(3-hydroxyphenyl)butyric acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kynureninase Starlite/ChEMBL References
Rattus norvegicus Kynureninase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi FLYWCH zinc finger domain containing protein Get druggable targets OG5_129469 All targets in OG5_129469
Echinococcus multilocularis Pyridoxal phosphate dependent transferase, major region, subdomain 1 Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma brucei gambiense kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Schistosoma japonicum ko:K01556 kynureninase [EC3.7.1.3], putative Get druggable targets OG5_129469 All targets in OG5_129469
Brugia malayi kynureninase family protein Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma brucei kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Echinococcus granulosus Pyridoxal phosphate dependent transferase major region subdomain 1 Get druggable targets OG5_129469 All targets in OG5_129469
Candida albicans possible L-kynurenine hydrolase Get druggable targets OG5_129469 All targets in OG5_129469
Leishmania major kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma congolense kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Leishmania infantum kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma cruzi kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Leishmania braziliensis kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma brucei kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Leishmania donovani kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Trypanosoma cruzi kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129469 All targets in OG5_129469
Brugia malayi hypothetical protein Get druggable targets OG5_129469 All targets in OG5_129469
Loa Loa (eye worm) kynureninase Get druggable targets OG5_129469 All targets in OG5_129469
Candida albicans possible L-kynurenine hydrolase Get druggable targets OG5_129469 All targets in OG5_129469
Schistosoma mansoni 3-hydroxy-kinureninase Get druggable targets OG5_129469 All targets in OG5_129469
Leishmania mexicana kynureninase, putative Get druggable targets OG5_129469 All targets in OG5_129469

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Kynureninase   464 aa 453 aa 52.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis Pyridoxal phosphate dependent transferase, major region, subdomain 1 0.0176 0 0.5
Loa Loa (eye worm) kynureninase 0.0179 1 1
Trypanosoma brucei kynureninase, putative 0.0179 1 0.5
Schistosoma mansoni 3-hydroxy-kinureninase 0.0179 1 0.5
Trypanosoma cruzi kynureninase, putative 0.0179 1 0.5
Trypanosoma cruzi kynureninase, putative 0.0179 1 0.5
Echinococcus granulosus Pyridoxal phosphate dependent transferase major region subdomain 1 0.0176 0 0.5
Brugia malayi FLYWCH zinc finger domain containing protein 0.0176 0 0.5
Brugia malayi hypothetical protein 0.0176 0 0.5
Trypanosoma brucei kynureninase, putative 0.0179 1 0.5
Brugia malayi kynureninase family protein 0.0176 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 100 nM Tested for binding affinity of the compound against kynureninase enzyme from human ChEMBL. 11814797
Ki (binding) = 100 nM Tested for binding affinity of the compound against kynureninase enzyme from human ChEMBL. 11814797
Ki (binding) = 100 nM Inhibition of human kynureninase ChEMBL. 19143568
Ki (binding) = 130 nM Tested for binding affinity of the compound against kynureninase enzyme from rat ChEMBL. 11814797
Ki (binding) = 130 nM Tested for binding affinity of the compound against kynureninase enzyme from rat ChEMBL. 11814797
Ki (binding) = 10 uM Tested for binding affinity of the compound against kynureninase enzyme from bacterial cells ChEMBL. 11814797
Ki (binding) = 10 uM Tested for binding affinity of the compound against kynureninase enzyme from bacterial cells ChEMBL. 11814797

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.