2-bromo-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one
| Internal ID | 517ebc3a-4a47-46ea-a1ef-8809439a50e0 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 2-bromo-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one |
| SMILES (Canonical) | CC1=CC2(C(CC3=C(NC4=CC=CC2=C34)Br)NC)OC1=O |
| SMILES (Isomeric) | CC1=CC2(C(CC3=C(NC4=CC=CC2=C34)Br)NC)OC1=O |
| InChI | InChI=1S/C16H15BrN2O2/c1-8-7-16(21-15(8)20)10-4-3-5-11-13(10)9(14(17)19-11)6-12(16)18-2/h3-5,7,12,18-19H,6H2,1-2H3 |
| InChI Key | SIFHQNIMYRHRLF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H15BrN2O2 |
| Molecular Weight | 347.21 g/mol |
| Exact Mass | 346.03169 g/mol |
| Topological Polar Surface Area (TPSA) | 54.10 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 2-bromo-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-bromo-3-methyl-4-methylaminospiro34-dihydro-1h-benzocdindole-55-furan-2-one.jpg "2D Structure of 2-bromo-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one")
| 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 | 97.13% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 96.55% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.74% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.10% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.37% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.21% | 85.30% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.98% | 88.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.68% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.24% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.02% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.37% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.99% | 94.80% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.41% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.93% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.80% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.25% | 85.11% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.94% | 98.59% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.03% | 83.82% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.97% | 94.75% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.34% | 96.39% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.31% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.43% | 93.40% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.71% | 93.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.38% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.06% | 89.00% |
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.
To see more specific details click the taxa you are interested in.
| Smallanthus fruticosus |
| Smallanthus uvedalia |
| PubChem | 163064229 |
| LOTUS | LTS0099253 |
| wikiData | Q104917920 |