(2Z)-N-[2-[3-bromo-4-[3-(methylamino)propoxy]phenyl]ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanamide
| Internal ID | f6e9f9be-76b8-4733-8cd7-7de3dba4f5f3 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | (2Z)-N-[2-[3-bromo-4-[3-(methylamino)propoxy]phenyl]ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26Br3N3O4/c1-26-7-3-9-32-20-5-4-14(10-16(20)23)6-8-27-22(29)19(28-30)13-15-11-17(24)21(31-2)18(25)12-15/h4-5,10-12,26,30H,3,6-9,13H2,1-2H3,(H,27,29)/b28-19- |
| InChI Key | XNDOHLCTDCJWHJ-USHMODERSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H26Br3N3O4 |
| Molecular Weight | 636.20 g/mol |
| Exact Mass | 634.94529 g/mol |
| Topological Polar Surface Area (TPSA) | 92.20 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (2Z)-N-[2-[3-bromo-4-[3-(methylamino)propoxy]phenyl]ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/c68901d0-860b-11ee-b4dc-410446a8d7f9.jpg "2D Structure of (2Z)-N-[2-[3-bromo-4-[3-(methylamino)propoxy]phenyl]ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanamide")
| 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 | 97.96% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.52% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.44% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.29% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.90% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.85% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.79% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.29% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.29% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.58% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.33% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.20% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.30% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.05% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.35% | 94.73% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.05% | 91.24% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.81% | 90.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.61% | 95.50% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.08% | 89.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.48% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.07% | 96.90% |
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.
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| There are no matching plants. |
| PubChem | 21777766 |
| LOTUS | LTS0079141 |
| wikiData | Q105331580 |