Detailed information for compound 554350

Basic information

Technical information
  • TDR Targets ID: 554350
  • Name: (2S)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methy l-4-pyridyl]methylamino]-3-phenyl-propanoic a cid
  • MW: 358.388 | Formula: C19H22N2O5
  • H donors: 4 H acceptors: 6 LogP: -0.12 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1cnc(c(c1CN[C@H](C(=O)O)Cc1ccccc1)O)C
  • InChi: 1S/C19H22N2O5/c1-12-18(24)15(14(10-20-12)7-8-17(22)23)11-21-16(19(25)26)9-13-5-3-2-4-6-13/h2-6,10,16,21,24H,7-9,11H2,1H3,(H,22,23)(H,25,26)/t16-/m0/s1
  • InChiKey: VNHORGDDSBQGPU-INIZCTEOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-4-pyridyl]methylamino]-3-phenylpropanoic acid
  • (2S)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-pyridin-4-yl]methylamino]-3-phenyl-propanoic acid
  • (2S)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-4-pyridyl]methylamino]-3-phenyl-propionic acid
  • (2S)-2-[[5-(2-carboxyethyl)-3-hydroxy-2-methylpyridin-4-yl]methylamino]-3-phenylpropanoic acid
  • alpha(5)-pyridoxalphenylalanine acetic acid
  • 23847-74-7
  • 3-Pyridinepropanoic acid, 4-(((1-carboxy-2-phenylethyl)amino)methyl)-5-hydroxy-6-methyl-, (S)-
  • alpha(5)-Pyridoxal-L-phenylalanine acetic 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
Schistosoma mansoni hypothetical protein 0.0038 0.1371 0.2227
Loa Loa (eye worm) hypothetical protein 0.0006 0.0055 0.0028
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.1371 0.2227
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.026 0.0263
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0633 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.026 0.0263
Loa Loa (eye worm) hypothetical protein 0.0011 0.026 0.0263
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.208 0.3405
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.026 0.0381
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.026 0.0392
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.208 0.3507
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0633 0.3728
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.1108 0.179
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0055 0.0028
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0633 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0055 0.0028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.026 0.0381
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.026 0.0263
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.026 0.0381
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.026 0.0263
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0633 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.026 0.0381
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.026 0.0263
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.026 0.0263
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.1504 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.5876 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.026 0.0263
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.208 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.026 0.0381
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.026 0.0263
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.026 0.0392
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.1656 0.7936
Brugia malayi acetyltransferase, GNAT family protein 0.0154 0.6051 0.6893
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.2546 0.2881
Loa Loa (eye worm) hypothetical protein 0.0011 0.026 0.0263
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.026 0.0263
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.1108 0.179
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.1656 0.2781
Schistosoma mansoni ap endonuclease 0.002 0.0633 0.1002
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0633 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.026 0.0263
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.1656 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.1108 0.179
Loa Loa (eye worm) RNA binding protein 0.0067 0.2546 0.2881
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0633 0.1031
Entamoeba histolytica hypothetical protein 0.0038 0.1371 0.8473
Brugia malayi MAP kinase sur-1 0.0056 0.208 0.2347
Plasmodium vivax SET domain protein, putative 0.0032 0.1108 0.6637
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.026 0.0381
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.2546 0.2881
Loa Loa (eye worm) hypothetical protein 0.0011 0.026 0.0263
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0633 0.1002
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.026 0.0381
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.208 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.026 0.0381
Loa Loa (eye worm) hypothetical protein 0.0011 0.026 0.0263
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.1656 0.7936
Entamoeba histolytica hypothetical protein 0.0038 0.1371 0.8473
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.026 0.0263
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.208 1
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.208 0.208
Loa Loa (eye worm) hypothetical protein 0.0006 0.0055 0.0028
Loa Loa (eye worm) hypothetical protein 0.0011 0.026 0.0263
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0633 0.069
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2546 0.4179
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0055 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2546 0.4179
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.026 0.0263
Schistosoma mansoni thyroid hormone receptor 0.0011 0.026 0.0381
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.026 0.0263
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.1108 0.1843
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.1656 0.1656
Schistosoma mansoni thyroid hormone receptor 0.0011 0.026 0.0381
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.026 0.0263
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.1504 1
Brugia malayi nuclear receptor NHR-88 0.0011 0.026 0.0263
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0055 0.0041
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.1371 0.2227
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.8765 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0154 0.6051 1
Brugia malayi TAR-binding protein 0.0067 0.2546 0.2881
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.1371 0.2293
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2546 0.4179
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.208 1
Trichomonas vaginalis set domain proteins, putative 0.0252 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.026 0.023
Loa Loa (eye worm) hypothetical protein 0.0011 0.026 0.0263
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.026 0.0381
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.026 0.023
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.026 0.0381
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.1656 0.1656
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.026 0.0392
Brugia malayi ecdysteroid receptor 0.0011 0.026 0.0263
Echinococcus multilocularis tar DNA binding protein 0.0067 0.2546 0.4179
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.026 0.0263
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.026 0.0263
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.208 0.2347
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.208 0.3405
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.026 0.0263
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.026 0.0392
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.1108 0.179
Brugia malayi Pre-SET motif family protein 0.0032 0.1108 0.1234
Onchocerca volvulus 0.0032 0.1108 0.1081
Schistosoma mansoni coup transcription factor 0.0011 0.026 0.0381
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.026 0.0381
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.026 0.0381
Brugia malayi steroid hormone receptor 0.0011 0.026 0.0263
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0055 0.0041
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.026 0.023
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.026 0.0381
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.208 0.3405
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.026 0.0263
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.026 0.0263
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.208 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.026 0.0263
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.1108 0.179
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0055 0.0028
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.1108 0.5267
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.026 0.0263
Brugia malayi hypothetical protein 0.0006 0.0055 0.0028
Brugia malayi Pre-SET motif family protein 0.0222 0.8765 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.026 0.0392
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.1108 0.179
Brugia malayi hypothetical protein 0.0038 0.1371 0.1535
Brugia malayi nuclear hormone receptor 0.0011 0.026 0.0263
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.026 0.0381
Loa Loa (eye worm) hypothetical protein 0.0006 0.0055 0.0028
Loa Loa (eye worm) hypothetical protein 0.0006 0.0055 0.0028
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2546 0.4179
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.208 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.208 0.3507
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.026 0.0392
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.026 0.0381
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.026 0.0392
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.026 0.0392
Entamoeba histolytica hypothetical protein 0.0038 0.1371 0.8473
Echinococcus granulosus FTZ F1 alpha 0.0011 0.026 0.0392
Schistosoma mansoni ap endonuclease 0.002 0.0633 0.1002
Loa Loa (eye worm) hypothetical protein 0.0032 0.1108 0.1234
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0633 0.069
Toxoplasma gondii exonuclease III APE 0.002 0.0633 0.2959
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.208 1
Brugia malayi nuclear receptor RXR 0.0006 0.0055 0.0028
Schistosoma mansoni nuclear hormone receptor 0.0011 0.026 0.0381
Trypanosoma brucei protein kinase, putative 0.0056 0.208 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2546 0.4179
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0154 0.6051 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.208 1
Brugia malayi RNA binding protein 0.0067 0.2546 0.2881
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.026 0.0263
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.208 0.208
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.026 0.0263
Brugia malayi hypothetical protein 0.0006 0.0055 0.0028
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0055 0.0041
Onchocerca volvulus 0.0011 0.026 0.023
Loa Loa (eye worm) hypothetical protein 0.0011 0.026 0.0263
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.026 0.0263
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.026 0.0381
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0633 0.0633
Loa Loa (eye worm) acetyltransferase 0.0154 0.6051 0.6893
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.106 0.1762
Entamoeba histolytica hypothetical protein 0.0038 0.1371 0.8473
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.1504 0.6015
Echinococcus granulosus tar DNA binding protein 0.0067 0.2546 0.4304
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.026 0.0381
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0633 0.0633
Loa Loa (eye worm) hypothetical protein 0.0006 0.0055 0.0028
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.026 0.0381
Loa Loa (eye worm) TAR-binding protein 0.0067 0.2546 0.2881
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.208 1
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.208 0.208
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.026 0.0263
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.208 0.208

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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