Aplyzanzine A
| Internal ID | 3ca383e7-4159-45f1-958b-9fa7ba62d2ac |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives |
| IUPAC Name | (2S)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-(dimethylamino)propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H33Br4N3O3/c1-31(2)9-6-10-35-24-20(28)11-16(12-21(24)29)7-8-30-25(33)22(32(3)4)15-17-13-18(26)23(34-5)19(27)14-17/h11-14,22H,6-10,15H2,1-5H3,(H,30,33)/t22-/m0/s1 |
| InChI Key | OZOVQXJIZUQCKN-QFIPXVFZSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C25H33Br4N3O3 |
| Molecular Weight | 743.20 g/mol |
| Exact Mass | 742.92144 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 6.70 |
| CHEMBL2062974 |
| DTXSID601336058 |
| Q15410271 |
| (2S)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-3-(3,5-dibromo-4-methoxy-phenyl)-2-(dimethylamino)propanamide |
| 327165-67-3 |
| 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 | 98.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.77% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.99% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.70% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.02% | 94.73% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 89.21% | 89.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.30% | 94.45% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 88.10% | 95.34% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.78% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.18% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.47% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.87% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.52% | 93.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.60% | 90.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.37% | 96.90% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.73% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.53% | 95.89% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.10% | 87.45% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 82.83% | 89.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.31% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.73% | 94.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 60153165 |
| LOTUS | LTS0221688 |
| wikiData | Q15410271 |