Brassilexin
| Internal ID | 98960e85-ed84-4525-872c-620a972a2e6e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 4H-[1,2]thiazolo[5,4-b]indole |
| SMILES (Canonical) | C1=CC=C2C(=C1)C3=C(N2)SN=C3 |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C3=C(N2)SN=C3 |
| InChI | InChI=1S/C9H6N2S/c1-2-4-8-6(3-1)7-5-10-12-9(7)11-8/h1-5,11H |
| InChI Key | NHMBEDDKDVIBQD-UHFFFAOYSA-N |
| Popularity | 13 references in papers |
| Molecular Formula | C9H6N2S |
| Molecular Weight | 174.22 g/mol |
| Exact Mass | 174.02516937 g/mol |
| Topological Polar Surface Area (TPSA) | 56.90 Ų |
| XlogP | 2.80 |
| 119752-76-0 |
| Sinalexin |
| 8H-isothiazolo[5,4-b]indole |
| Brassilexine |
| 2h-[1,2]thiazolo[5,4-b]indole |
| 200192-82-1 |
| 4H-[1,2]thiazolo[5,4-b]indole |
| 8H-Isothiazolo(5,4-b)indole |
| isothiazolo[5,4-b]indole |
| 4H-isothiazolo[5,4-b]indole |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.62% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.09% | 91.11% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.77% | 88.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.04% | 98.59% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.62% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.09% | 94.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.16% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.51% | 95.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.39% | 85.49% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 83.61% | 93.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.11% | 98.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.56% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.39% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.03% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.81% | 90.08% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.18% | 89.44% |
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.
| Brassica juncea |
| Sinapis arvensis |
| PubChem | 135413564 |
| LOTUS | LTS0235050 |
| wikiData | Q105179461 |