N-[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]-2-hydroxyimino-3-phenylpropanamide
| Internal ID | fe4959d9-00e0-4457-babe-ae1650d62e02 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | N-[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]-2-hydroxyimino-3-phenylpropanamide |
| SMILES (Canonical) | C1=CC=C(C=C1)CC(=NO)C(=O)NCCC2=CC(=C(C(=C2)Br)OCCCN)Br |
| SMILES (Isomeric) | C1=CC=C(C=C1)CC(=NO)C(=O)NCCC2=CC(=C(C(=C2)Br)OCCCN)Br |
| InChI | InChI=1S/C20H23Br2N3O3/c21-16-11-15(12-17(22)19(16)28-10-4-8-23)7-9-24-20(26)18(25-27)13-14-5-2-1-3-6-14/h1-3,5-6,11-12,27H,4,7-10,13,23H2,(H,24,26) |
| InChI Key | YQDRTUZZXFNDLI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23Br2N3O3 |
| Molecular Weight | 513.20 g/mol |
| Exact Mass | 513.00857 g/mol |
| Topological Polar Surface Area (TPSA) | 96.90 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of N-[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]-2-hydroxyimino-3-phenylpropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2-4-3-aminopropoxy-35-dibromophenylethyl-2-hydroxyimino-3-phenylpropanamide.jpg "2D Structure of N-[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]-2-hydroxyimino-3-phenylpropanamide")
| 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 | 97.77% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.12% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.64% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.33% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.43% | 94.73% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 90.39% | 93.81% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.96% | 95.50% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 86.99% | 94.01% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.80% | 96.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.41% | 87.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.52% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.01% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.92% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.81% | 97.21% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.75% | 90.24% |
| CHEMBL3891 | P07384 | Calpain 1 | 83.55% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.09% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.34% | 90.71% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.21% | 94.62% |
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 | 85082810 |
| LOTUS | LTS0081121 |
| wikiData | Q105352164 |