N-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N,2-dimethyl-3-oxodecanamide
| Internal ID | 71e42f0f-e1b6-412b-8faa-85fbcc265285 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives |
| IUPAC Name | N-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N,2-dimethyl-3-oxodecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H45N3O5/c1-8-9-10-11-12-13-24(32)20(4)27(34)30(5)23(18-21-14-16-22(36-7)17-15-21)28(35)31(6)25(19(2)3)26(29)33/h14-17,19-20,23,25H,8-13,18H2,1-7H3,(H2,29,33) |
| InChI Key | KKNYIFDIQAVMQG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H45N3O5 |
| Molecular Weight | 503.70 g/mol |
| Exact Mass | 503.33592154 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of N-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N,2-dimethyl-3-oxodecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/unk-dl-nmetyrme-dl-nmeval-nh2.jpg "2D Structure of N-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N,2-dimethyl-3-oxodecanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.40% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.71% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.39% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 97.79% | 90.24% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.83% | 97.29% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 92.81% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.81% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.16% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.29% | 90.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.98% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.79% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.78% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.47% | 90.17% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.86% | 93.18% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.63% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.84% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.68% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.55% | 92.68% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.28% | 96.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.81% | 93.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.76% | 93.31% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.57% | 92.86% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.29% | 87.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.24% | 97.79% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.11% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74051627 |
| LOTUS | LTS0216650 |
| wikiData | Q105142282 |