4-[(4-hydroxy-1-oxospiro[3,3a-dihydroimidazo[1,2-a]indole-2,1'-cyclopropane]-4-yl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
| Internal ID | 61f80ece-facf-4a9d-8715-d7e9f1552d8b |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | 4-[(4-hydroxy-1-oxospiro[3,3a-dihydroimidazo[1,2-a]indole-2,1'-cyclopropane]-4-yl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H21N5O4/c30-19-17(28-18(12-25-19)26-15-7-3-1-5-13(15)20(28)31)11-24(33)14-6-2-4-8-16(14)29-21(24)27-23(9-10-23)22(29)32/h1-8,17,21,27,33H,9-12H2,(H,25,30) |
| InChI Key | DNBXNSJGLBAFPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H21N5O4 |
| Molecular Weight | 443.50 g/mol |
| Exact Mass | 443.15935417 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 4-[(4-hydroxy-1-oxospiro[3,3a-dihydroimidazo[1,2-a]indole-2,1'-cyclopropane]-4-yl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/6dfca500-85af-11ee-86fd-539f21a68647.jpg "2D Structure of 4-[(4-hydroxy-1-oxospiro[3,3a-dihydroimidazo[1,2-a]indole-2,1'-cyclopropane]-4-yl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione")
| 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 | 97.94% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.61% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.27% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.21% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.01% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.34% | 95.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.62% | 96.39% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.55% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.85% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.81% | 93.99% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.65% | 98.59% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.32% | 94.23% |
| CHEMBL204 | P00734 | Thrombin | 83.46% | 96.01% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.60% | 94.75% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.57% | 97.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.96% | 90.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.33% | 96.67% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.24% | 92.67% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.21% | 95.51% |
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 | 162815991 |
| LOTUS | LTS0136752 |
| wikiData | Q103818537 |