(2Z)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[3,5-dibromo-4-(3-pyridin-1-ium-1-ylpropoxy)phenyl]-2-hydroxyiminopropanamide
| Internal ID | b645cb80-e5c1-4f1e-9030-ba5deece13b6 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | (2Z)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[3,5-dibromo-4-(3-pyridin-1-ium-1-ylpropoxy)phenyl]-2-hydroxyiminopropanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24Br2N6O3/c23-17-11-15(12-18(24)20(17)33-10-4-9-30-7-2-1-3-8-30)13-19(29-32)21(31)26-6-5-16-14-27-22(25)28-16/h1-3,7-8,11-12,14H,4-6,9-10,13H2,(H4-,25,26,27,28,29,31,32)/p+1 |
| InChI Key | MIQRPFLPJLBRMG-UHFFFAOYSA-O |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H25Br2N6O3+ |
| Molecular Weight | 581.30 g/mol |
| Exact Mass | 581.03344 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (2Z)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[3,5-dibromo-4-(3-pyridin-1-ium-1-ylpropoxy)phenyl]-2-hydroxyiminopropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/3c5d0210-865f-11ee-98fe-997d88ecf431.jpg "2D Structure of (2Z)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[3,5-dibromo-4-(3-pyridin-1-ium-1-ylpropoxy)phenyl]-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 | 97.73% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.60% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.80% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.60% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.41% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.91% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.57% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.94% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.62% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.01% | 90.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.75% | 95.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.27% | 94.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 84.90% | 93.81% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.69% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.93% | 90.71% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.41% | 97.53% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.56% | 90.24% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.34% | 87.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.97% | 94.62% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 80.67% | 93.53% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.41% | 92.29% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.38% | 93.00% |
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.
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| There are no matching plants. |
| PubChem | 23427325 |
| LOTUS | LTS0127347 |
| wikiData | Q104402004 |