(2S,3S)-N-[3-[2-(2,4-dibromo-5-methoxyphenyl)ethyl-methylamino]propyl]-2-(dimethylamino)-3-methylpentanamide
| Internal ID | 602cad02-7afd-4b78-bba1-d073a411fcf7 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenethylamines |
| IUPAC Name | (2S,3S)-N-[3-[2-(2,4-dibromo-5-methoxyphenyl)ethyl-methylamino]propyl]-2-(dimethylamino)-3-methylpentanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H35Br2N3O2/c1-7-15(2)20(25(3)4)21(27)24-10-8-11-26(5)12-9-16-13-19(28-6)18(23)14-17(16)22/h13-15,20H,7-12H2,1-6H3,(H,24,27)/t15-,20-/m0/s1 |
| InChI Key | UALLIGNUXVQKKX-YWZLYKJASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H35Br2N3O2 |
| Molecular Weight | 521.30 g/mol |
| Exact Mass | 521.10755 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (2S,3S)-N-[3-[2-(2,4-dibromo-5-methoxyphenyl)ethyl-methylamino]propyl]-2-(dimethylamino)-3-methylpentanamide](https://plantaedb.com/storage/docs/compounds/2023/11/cee03da0-8570-11ee-8729-bd7eda846831.jpg "2D Structure of (2S,3S)-N-[3-[2-(2,4-dibromo-5-methoxyphenyl)ethyl-methylamino]propyl]-2-(dimethylamino)-3-methylpentanamide")
| 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 | 99.46% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.23% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.33% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.80% | 91.11% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 94.44% | 87.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.62% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.82% | 97.21% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 91.19% | 96.76% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.01% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.03% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.69% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.66% | 95.89% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 87.59% | 89.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.87% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.80% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.84% | 89.62% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.67% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.51% | 95.56% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 85.44% | 96.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.36% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.36% | 95.17% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.61% | 85.31% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.82% | 90.20% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.81% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.77% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.51% | 96.21% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 163106128 |
| LOTUS | LTS0136215 |
| wikiData | Q105268889 |