2,4,6-tribromo-3-methylsulfanyl-1-(4,5,6-tribromo-2-methylsulfanyl-1H-indol-3-yl)indole
| Internal ID | d26b9cb4-3c19-43c5-9a85-c86ea8a4c724 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 2,4,6-tribromo-3-methylsulfanyl-1-(4,5,6-tribromo-2-methylsulfanyl-1H-indol-3-yl)indole |
| SMILES (Canonical) | CSC1=C(N(C2=C1C(=CC(=C2)Br)Br)C3=C(NC4=CC(=C(C(=C43)Br)Br)Br)SC)Br |
| SMILES (Isomeric) | CSC1=C(N(C2=C1C(=CC(=C2)Br)Br)C3=C(NC4=CC(=C(C(=C43)Br)Br)Br)SC)Br |
| InChI | InChI=1S/C18H10Br6N2S2/c1-27-16-11-7(20)3-6(19)4-10(11)26(17(16)24)15-12-9(25-18(15)28-2)5-8(21)13(22)14(12)23/h3-5,25H,1-2H3 |
| InChI Key | BNEKBGBHLURJDH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H10Br6N2S2 |
| Molecular Weight | 797.80 g/mol |
| Exact Mass | 797.53242 g/mol |
| Topological Polar Surface Area (TPSA) | 71.30 Ų |
| XlogP | 9.60 |
| 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 | 99.09% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.24% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.71% | 95.56% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 88.07% | 80.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.50% | 93.99% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.93% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.97% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.67% | 98.59% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.11% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.69% | 93.40% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.17% | 95.58% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 81.00% | 93.24% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.26% | 91.71% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.17% | 89.05% |
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 | 21778361 |
| LOTUS | LTS0194959 |
| wikiData | Q104938750 |