4-[(2-amino-1H-imidazol-5-yl)methylidene]-7-bromo-8a-hydroxy-2,3-dihydropyrrolo[1,2-a]pyrazine-1,6-dione
| Internal ID | 215523d1-ec64-4436-9a0f-fff0b2928ebc |
| Taxonomy | Organoheterocyclic compounds > Azoles > Imidazoles |
| IUPAC Name | 4-[(2-amino-1H-imidazol-5-yl)methylidene]-7-bromo-8a-hydroxy-2,3-dihydropyrrolo[1,2-a]pyrazine-1,6-dione |
| SMILES (Canonical) | C1C(=CC2=CN=C(N2)N)N3C(=O)C(=CC3(C(=O)N1)O)Br |
| SMILES (Isomeric) | C1C(=CC2=CN=C(N2)N)N3C(=O)C(=CC3(C(=O)N1)O)Br |
| InChI | InChI=1S/C11H10BrN5O3/c12-7-2-11(20)9(19)14-4-6(17(11)8(7)18)1-5-3-15-10(13)16-5/h1-3,20H,4H2,(H,14,19)(H3,13,15,16) |
| InChI Key | XKFVLOVEQBJMER-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H10BrN5O3 |
| Molecular Weight | 340.13 g/mol |
| Exact Mass | 338.99670 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of 4-[(2-amino-1H-imidazol-5-yl)methylidene]-7-bromo-8a-hydroxy-2,3-dihydropyrrolo[1,2-a]pyrazine-1,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8acfaba0-8671-11ee-b137-0163b4b473bd.jpg "2D Structure of 4-[(2-amino-1H-imidazol-5-yl)methylidene]-7-bromo-8a-hydroxy-2,3-dihydropyrrolo[1,2-a]pyrazine-1,6-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.76% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.49% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.97% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.61% | 89.34% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.30% | 88.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.04% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.10% | 90.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.89% | 95.69% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 84.46% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.06% | 90.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.71% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.60% | 94.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.87% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.92% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.90% | 86.33% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.83% | 97.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.46% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.42% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.30% | 97.09% |
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 | 73236920 |
| LOTUS | LTS0076364 |
| wikiData | Q105329462 |