3-Bromo-N-methyltyramine
| Internal ID | 0ad1e8eb-6a9f-4ad8-93ff-e7396ecbf7ce |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenethylamines |
| IUPAC Name | 2-bromo-4-[2-(methylamino)ethyl]phenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H12BrNO/c1-11-5-4-7-2-3-9(12)8(10)6-7/h2-3,6,11-12H,4-5H2,1H3 |
| InChI Key | AINJSQXLMHMVIX-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.10 g/mol |
| Exact Mass | 229.01023 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 0.60 |
| CHEBI:69058 |
| 2-bromo-4-[2-(methylamino)ethyl]phenol |
| EN300-1907308 |
| Q27137399 |
| 1335567-72-0 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.42% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.23% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.05% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.58% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.03% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.70% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.60% | 99.17% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 81.03% | 94.01% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.60% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.40% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.33% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.12% | 94.00% |
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 | 56599472 |
| LOTUS | LTS0196784 |
| wikiData | Q27137399 |