(2Z)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyiminopropanamide
| Internal ID | 9b3616d1-4eb4-4447-bf81-a90f1cc17d86 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | (2Z)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyiminopropanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22Br2N6O3/c18-12-6-10(7-13(19)15(12)28-5-1-3-20)8-14(25-27)16(26)22-4-2-11-9-23-17(21)24-11/h6-7,9,27H,1-5,8,20H2,(H,22,26)(H3,21,23,24)/b25-14- |
| InChI Key | VZDKEGKTDBWXJY-QFEZKATASA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H22Br2N6O3 |
| Molecular Weight | 518.20 g/mol |
| Exact Mass | 518.00996 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (2Z)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyiminopropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/b7245bf0-853f-11ee-8713-f79826bc0e55.jpg "2D Structure of (2Z)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-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 | 97.98% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.73% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.76% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.56% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.24% | 99.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 93.62% | 87.45% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 93.05% | 90.24% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 92.13% | 97.53% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 91.36% | 95.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.24% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.87% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.27% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.12% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.35% | 86.33% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 87.71% | 93.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.65% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.46% | 97.21% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.59% | 92.29% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 85.91% | 94.01% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.85% | 98.95% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 84.73% | 93.24% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.28% | 94.42% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.51% | 96.95% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 81.52% | 90.24% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.22% | 96.90% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.33% | 81.11% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.23% | 93.81% |
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 | 6399281 |
| LOTUS | LTS0097117 |
| wikiData | Q105299690 |