4,5,6-tribromo-3-methylsulfanyl-2-methylsulfinyl-1H-indole
| Internal ID | d616242e-9263-4d0c-affb-70ed273418f5 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 4,5,6-tribromo-3-methylsulfanyl-2-methylsulfinyl-1H-indole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H8Br3NOS2/c1-16-9-6-5(14-10(9)17(2)15)3-4(11)7(12)8(6)13/h3,14H,1-2H3 |
| InChI Key | LLQFIYRWIPLTTL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C10H8Br3NOS2 |
| Molecular Weight | 462.00 g/mol |
| Exact Mass | 460.75769 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.58% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.64% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.62% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.90% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.41% | 94.45% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.00% | 97.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.36% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.88% | 96.09% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 81.55% | 93.53% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.50% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.05% | 94.73% |
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 | 11178706 |
| LOTUS | LTS0070492 |
| wikiData | Q105153668 |