3-[(1R,4S)-1-tert-butyl-1-hydroxy-3,6-dioxo-2,4-dihydropyrazino[2,1-b]quinazolin-4-yl]propanamide
| Internal ID | 54590c96-0b06-4aa5-91d8-05fe45c23cf7 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | 3-[(1R,4S)-1-tert-butyl-1-hydroxy-3,6-dioxo-2,4-dihydropyrazino[2,1-b]quinazolin-4-yl]propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H22N4O4/c1-17(2,3)18(26)16-20-11-7-5-4-6-10(11)15(25)22(16)12(14(24)21-18)8-9-13(19)23/h4-7,12,26H,8-9H2,1-3H3,(H2,19,23)(H,21,24)/t12-,18-/m0/s1 |
| InChI Key | QLECHXLRCYDOPS-SGTLLEGYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H22N4O4 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.16410520 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 3-[(1R,4S)-1-tert-butyl-1-hydroxy-3,6-dioxo-2,4-dihydropyrazino[2,1-b]quinazolin-4-yl]propanamide](https://plantaedb.com/storage/docs/compounds/2023/11/3-1r4s-1-tert-butyl-1-hydroxy-36-dioxo-24-dihydropyrazino21-bquinazolin-4-ylpropanamide.jpg "2D Structure of 3-[(1R,4S)-1-tert-butyl-1-hydroxy-3,6-dioxo-2,4-dihydropyrazino[2,1-b]quinazolin-4-yl]propanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.31% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.07% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.25% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.83% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.96% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.07% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.05% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.03% | 94.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.11% | 97.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.96% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.71% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.65% | 89.00% |
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 | 163105679 |
| LOTUS | LTS0070117 |
| wikiData | Q105223510 |