Indolepyrazine A
| Internal ID | 786522d5-7dc6-4732-a536-1acea5abb057 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (3S)-3-hydroxy-3-[[6-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indol-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H18N4O2/c27-21-22(28,18-6-2-4-8-20(18)26-21)10-16-13-23-12-15(25-16)9-14-11-24-19-7-3-1-5-17(14)19/h1-8,11-13,24,28H,9-10H2,(H,26,27)/t22-/m0/s1 |
| InChI Key | DZHDNSKQSGLWTF-QFIPXVFZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H18N4O2 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.14297583 g/mol |
| Topological Polar Surface Area (TPSA) | 90.90 Ų |
| XlogP | 2.00 |
| CHEMBL5208516 |
| 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 | 96.21% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.96% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.75% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.66% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.16% | 98.59% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.73% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.42% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.32% | 95.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 92.25% | 96.39% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.18% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.51% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.22% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.07% | 88.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.57% | 97.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.77% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.34% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.54% | 92.62% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.79% | 96.67% |
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 | 146682891 |
| LOTUS | LTS0084293 |
| wikiData | Q104991792 |