(4-bromophenyl)methyl (2S,3Z,5S)-3-(2-acetamidoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Internal ID | efc60e8e-cb09-408c-a141-b42d265ac2e1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters |
| IUPAC Name | (4-bromophenyl)methyl (2S,3Z,5S)-3-(2-acetamidoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H17BrN2O5/c1-10(21)19-7-6-13-16(20-14(22)8-15(20)25-13)17(23)24-9-11-2-4-12(18)5-3-11/h2-6,15-16H,7-9H2,1H3,(H,19,21)/b13-6-/t15-,16-/m0/s1 |
| InChI Key | NKUNSEILDPZBEU-GCNXLRFNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H17BrN2O5 |
| Molecular Weight | 409.20 g/mol |
| Exact Mass | 408.03208 g/mol |
| Topological Polar Surface Area (TPSA) | 84.90 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (4-bromophenyl)methyl (2S,3Z,5S)-3-(2-acetamidoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/f21042f0-862c-11ee-97a2-11a3b400f5f0.jpg "2D Structure of (4-bromophenyl)methyl (2S,3Z,5S)-3-(2-acetamidoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.86% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.46% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.84% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.37% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.08% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.86% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.93% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.48% | 93.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.13% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.57% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.45% | 85.14% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.79% | 95.71% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.57% | 89.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.45% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.82% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.03% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.03% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.56% | 97.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163193366 |
| LOTUS | LTS0057331 |
| wikiData | Q105181149 |