(2S)-5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid
| Internal ID | 00fd7355-67e8-4437-be11-e3256abb5875 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | (2S)-5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid |
| SMILES (Canonical) | C1=CC=C2C(=C1)C=C(C(=N2)C(=O)NC(CCC(=O)N)C(=O)O)O |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C=C(C(=N2)C(=O)N[C@@H](CCC(=O)N)C(=O)O)O |
| InChI | InChI=1S/C15H15N3O5/c16-12(20)6-5-10(15(22)23)18-14(21)13-11(19)7-8-3-1-2-4-9(8)17-13/h1-4,7,10,19H,5-6H2,(H2,16,20)(H,18,21)(H,22,23)/t10-/m0/s1 |
| InChI Key | SUYSEAZIUVYHDG-JTQLQIEISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H15N3O5 |
| Molecular Weight | 317.30 g/mol |
| Exact Mass | 317.10117059 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (2S)-5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-5-amino-2-3-hydroxyquinoline-2-carbonylamino-5-oxopentanoic-acid.jpg "2D Structure of (2S)-5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.45% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.89% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.44% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.14% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.82% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.20% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.85% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.11% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.91% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.68% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.39% | 96.00% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 87.22% | 89.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.40% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.74% | 94.62% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.91% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.92% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.73% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.76% | 100.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.24% | 87.67% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 156581809 |
| LOTUS | LTS0137946 |
| wikiData | Q105261697 |