Azatyrosine
| Internal ID | 74ee4b2b-a1c8-42a6-9b26-31f21f5d5f8e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids |
| IUPAC Name | (2S)-2-amino-3-(5-hydroxypyridin-2-yl)propanoic acid |
| SMILES (Canonical) | C1=CC(=NC=C1O)CC(C(=O)O)N |
| SMILES (Isomeric) | C1=CC(=NC=C1O)C[C@@H](C(=O)O)N |
| InChI | InChI=1S/C8H10N2O3/c9-7(8(12)13)3-5-1-2-6(11)4-10-5/h1-2,4,7,11H,3,9H2,(H,12,13)/t7-/m0/s1 |
| InChI Key | YOZSEGPJAXTSFZ-ZETCQYMHSA-N |
| Popularity | 64 references in papers |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.18 g/mol |
| Exact Mass | 182.06914219 g/mol |
| Topological Polar Surface Area (TPSA) | 96.40 Ų |
| XlogP | -2.80 |
| Atomic LogP (AlogP) | -0.26 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 3 |
| L-AZATYROSINE |
| 58525-82-9 |
| 2-aza-l-tyrosine |
| (2S)-2-AMINO-3-(5-HYDROXYPYRIDIN-2-YL)PROPANOIC ACID |
| 0XTS2H0JH1 |
| (S)-2-Amino-3-(5-hydroxypyridin-2-yl)propanoic acid |
| UNII-0XTS2H0JH1 |
| CCRIS 4306 |
| (+)-L-AZATYROSINE |
| SCHEMBL7205029 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9888 | 98.88% |
| Caco-2 | - | 0.6318 | 63.18% |
| Blood Brain Barrier | + | 0.5750 | 57.50% |
| Human oral bioavailability | + | 0.6571 | 65.71% |
| Subcellular localzation | Mitochondria | 0.5882 | 58.82% |
| OATP2B1 inhibitior | - | 0.8647 | 86.47% |
| OATP1B1 inhibitior | + | 0.9444 | 94.44% |
| OATP1B3 inhibitior | + | 0.9548 | 95.48% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.9067 | 90.67% |
| BSEP inhibitior | - | 0.9225 | 92.25% |
| P-glycoprotein inhibitior | - | 0.9935 | 99.35% |
| P-glycoprotein substrate | - | 0.9515 | 95.15% |
| CYP3A4 substrate | - | 0.7093 | 70.93% |
| CYP2C9 substrate | - | 0.6277 | 62.77% |
| CYP2D6 substrate | - | 0.7676 | 76.76% |
| CYP3A4 inhibition | - | 0.9520 | 95.20% |
| CYP2C9 inhibition | - | 0.9686 | 96.86% |
| CYP2C19 inhibition | - | 0.9576 | 95.76% |
| CYP2D6 inhibition | - | 0.9660 | 96.60% |
| CYP1A2 inhibition | - | 0.9362 | 93.62% |
| CYP2C8 inhibition | + | 0.5422 | 54.22% |
| CYP inhibitory promiscuity | - | 0.9796 | 97.96% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.7823 | 78.23% |
| Carcinogenicity (trinary) | Non-required | 0.7168 | 71.68% |
| Eye corrosion | - | 0.9946 | 99.46% |
| Eye irritation | - | 0.9482 | 94.82% |
| Skin irritation | - | 0.7567 | 75.67% |
| Skin corrosion | - | 0.9401 | 94.01% |
| Ames mutagenesis | - | 0.6400 | 64.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7828 | 78.28% |
| Micronuclear | + | 0.8174 | 81.74% |
| Hepatotoxicity | + | 0.5239 | 52.39% |
| skin sensitisation | - | 0.6622 | 66.22% |
| Respiratory toxicity | + | 0.6889 | 68.89% |
| Reproductive toxicity | + | 0.7889 | 78.89% |
| Mitochondrial toxicity | + | 0.7250 | 72.50% |
| Nephrotoxicity | - | 0.8785 | 87.85% |
| Acute Oral Toxicity (c) | III | 0.4645 | 46.45% |
| Estrogen receptor binding | - | 0.9595 | 95.95% |
| Androgen receptor binding | - | 0.7673 | 76.73% |
| Thyroid receptor binding | - | 0.8541 | 85.41% |
| Glucocorticoid receptor binding | - | 0.6113 | 61.13% |
| Aromatase binding | - | 0.8973 | 89.73% |
| PPAR gamma | - | 0.6226 | 62.26% |
| Honey bee toxicity | - | 0.9451 | 94.51% |
| Biodegradation | - | 0.6750 | 67.50% |
| Crustacea aquatic toxicity | - | 0.7200 | 72.00% |
| Fish aquatic toxicity | - | 0.9413 | 94.13% |
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.52% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.72% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.12% | 93.10% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.96% | 83.82% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.85% | 99.15% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.23% | 92.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.11% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.62% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.98% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.74% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.79% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 10986910 |
| LOTUS | LTS0176150 |
| wikiData | Q27231231 |