(4S)-6,7-dibromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
| Internal ID | 12bdcbf1-231f-4179-a964-285258d11af0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > 2-heteroaryl carboxamides |
| IUPAC Name | (4S)-6,7-dibromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one |
| SMILES (Canonical) | C1C(N2C(=CC(=C2Br)Br)C(=O)N1)O |
| SMILES (Isomeric) | C1[C@@H](N2C(=CC(=C2Br)Br)C(=O)N1)O |
| InChI | InChI=1S/C7H6Br2N2O2/c8-3-1-4-7(13)10-2-5(12)11(4)6(3)9/h1,5,12H,2H2,(H,10,13)/t5-/m0/s1 |
| InChI Key | NUVAABCZBKHWMX-YFKPBYRVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H6Br2N2O2 |
| Molecular Weight | 309.94 g/mol |
| Exact Mass | 309.87755 g/mol |
| Topological Polar Surface Area (TPSA) | 54.30 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (4S)-6,7-dibromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/4s-67-dibromo-4-hydroxy-34-dihydro-2h-pyrrolo12-apyrazin-1-one.jpg "2D Structure of (4S)-6,7-dibromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one")
| 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 | 97.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.03% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.28% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.94% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.88% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.68% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.00% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.80% | 93.99% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.69% | 93.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.61% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.97% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.43% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.14% | 99.23% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.82% | 89.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.73% | 94.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.11% | 95.92% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.56% | 83.82% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.69% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.60% | 94.00% |
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.
To see more specific details click the taxa you are interested in.
| Asparagus falcatus |
| PubChem | 10448074 |
| LOTUS | LTS0080050 |
| wikiData | Q104959288 |