7-bromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxamide
| Internal ID | 24a56e9c-185b-4799-87ee-4cd9590af696 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | 7-bromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxamide |
| SMILES (Canonical) | CN(C)CCCOC1=C(C=C(C=C1Br)CCNC(=O)C2=NOC3(C2)C=CC(=O)C(=C3)Br)Br |
| SMILES (Isomeric) | CN(C)CCCOC1=C(C=C(C=C1Br)CCNC(=O)C2=NOC3(C2)C=CC(=O)C(=C3)Br)Br |
| InChI | InChI=1S/C22H24Br3N3O4/c1-28(2)8-3-9-31-20-15(23)10-14(11-16(20)24)5-7-26-21(30)18-13-22(32-27-18)6-4-19(29)17(25)12-22/h4,6,10-12H,3,5,7-9,13H2,1-2H3,(H,26,30) |
| InChI Key | IOCOJJHTTMYAHZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24Br3N3O4 |
| Molecular Weight | 634.20 g/mol |
| Exact Mass | 632.92964 g/mol |
| Topological Polar Surface Area (TPSA) | 80.20 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 7-bromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/02977740-87d7-11ee-bbfb-178fe6903650.jpg "2D Structure of 7-bromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxamide")
| 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 | 96.91% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.84% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.80% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.48% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.38% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.27% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.06% | 94.73% |
| CHEMBL240 | Q12809 | HERG | 90.74% | 89.76% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.95% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.02% | 96.77% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.72% | 96.90% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 87.34% | 95.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.17% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.95% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.08% | 89.00% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 85.58% | 89.92% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.49% | 95.17% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.44% | 89.67% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.98% | 90.08% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.79% | 90.24% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.26% | 91.24% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.57% | 97.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.56% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.03% | 86.33% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.01% | 80.33% |
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 | 10009240 |
| LOTUS | LTS0069733 |
| wikiData | Q105116586 |