4,6-dibromo-3-[4,6-dibromo-2-[(R)-methylsulfinyl]-1H-indol-3-yl]-2-[(S)-methylsulfinyl]-1H-indole
| Internal ID | ab8e89e4-f746-4179-a015-eb5be391165f |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 4,6-dibromo-3-[4,6-dibromo-2-[(R)-methylsulfinyl]-1H-indol-3-yl]-2-[(S)-methylsulfinyl]-1H-indole |
| SMILES (Canonical) | CS(=O)C1=C(C2=C(N1)C=C(C=C2Br)Br)C3=C(NC4=C3C(=CC(=C4)Br)Br)S(=O)C |
| SMILES (Isomeric) | C[S@@](=O)C1=C(C2=C(N1)C=C(C=C2Br)Br)C3=C(NC4=C3C(=CC(=C4)Br)Br)[S@@](=O)C |
| InChI | InChI=1S/C18H12Br4N2O2S2/c1-27(25)17-15(13-9(21)3-7(19)5-11(13)23-17)16-14-10(22)4-8(20)6-12(14)24-18(16)28(2)26/h3-6,23-24H,1-2H3/t27-,28+ |
| InChI Key | XBHNQXJFFIJLEG-HNRBIFIRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H12Br4N2O2S2 |
| Molecular Weight | 672.10 g/mol |
| Exact Mass | 671.70327 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 4,6-dibromo-3-[4,6-dibromo-2-[(R)-methylsulfinyl]-1H-indol-3-yl]-2-[(S)-methylsulfinyl]-1H-indole](https://plantaedb.com/storage/docs/compounds/2023/11/46-dibromo-3-46-dibromo-2-r-methylsulfinyl-1h-indol-3-yl-2-s-methylsulfinyl-1h-indole.jpg "2D Structure of 4,6-dibromo-3-[4,6-dibromo-2-[(R)-methylsulfinyl]-1H-indol-3-yl]-2-[(S)-methylsulfinyl]-1H-indole")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.06% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.61% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.41% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.31% | 98.95% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 89.06% | 93.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.37% | 91.11% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.03% | 80.96% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 83.07% | 80.33% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.46% | 97.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.30% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.87% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.53% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.16% | 94.73% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163195535 |
| LOTUS | LTS0182416 |
| wikiData | Q105324478 |