(S)-methyl-2-acetamido-4-(2-(methylamino)phenyl)-4-oxobutanoate
| Internal ID | 5c3e1481-6124-4eb2-a528-973977172e27 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | methyl (2S)-2-acetamido-4-[2-(methylamino)phenyl]-4-oxobutanoate |
| SMILES (Canonical) | CC(=O)NC(CC(=O)C1=CC=CC=C1NC)C(=O)OC |
| SMILES (Isomeric) | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1NC)C(=O)OC |
| InChI | InChI=1S/C14H18N2O4/c1-9(17)16-12(14(19)20-3)8-13(18)10-6-4-5-7-11(10)15-2/h4-7,12,15H,8H2,1-3H3,(H,16,17)/t12-/m0/s1 |
| InChI Key | MJJGMIZYROXQLJ-LBPRGKRZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H18N2O4 |
| Molecular Weight | 278.30 g/mol |
| Exact Mass | 278.12665706 g/mol |
| Topological Polar Surface Area (TPSA) | 84.50 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.54% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.37% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.73% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.20% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.98% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.73% | 96.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.09% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.74% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.46% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.78% | 90.20% |
| CHEMBL3308 | P55212 | Caspase-6 | 81.25% | 97.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.51% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.01% | 96.67% |
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 | 146682994 |
| LOTUS | LTS0064476 |
| wikiData | Q105165444 |