(4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2,3-dibromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
| Internal ID | 5b6f0fba-a165-4461-b06d-1807561c4ecc |
| Taxonomy | Organoheterocyclic compounds > Pyrroloazepines |
| IUPAC Name | (4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2,3-dibromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one |
| SMILES (Canonical) | C1CNC(=O)C2=C(C1=C3C(=O)N=C(N3)N)C(=C(N2)Br)Br |
| SMILES (Isomeric) | C\1CNC(=O)C2=C(/C1=C\3/C(=O)N=C(N3)N)C(=C(N2)Br)Br |
| InChI | InChI=1S/C11H9Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h16H,1-2H2,(H,15,19)(H3,14,17,18,20)/b6-3- |
| InChI Key | ZITKTAJHKVYGTC-UTCJRWHESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H9Br2N5O2 |
| Molecular Weight | 403.03 g/mol |
| Exact Mass | 402.91025 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2,3-dibromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/d13ea6c0-83f5-11ee-9e93-59b3dc174238.jpg "2D Structure of (4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2,3-dibromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.82% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 96.55% | 85.30% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 96.32% | 95.72% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 94.64% | 95.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.28% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.57% | 95.93% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.89% | 96.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.34% | 98.59% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.15% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.07% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.87% | 88.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.00% | 94.75% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.19% | 80.96% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 84.19% | 80.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.95% | 94.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.29% | 90.17% |
| CHEMBL4598 | Q13043 | Serine/threonine-protein kinase MST1 | 82.35% | 96.64% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.71% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.60% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.55% | 90.08% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.39% | 89.34% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.24% | 93.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.87% | 93.04% |
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 | 10574178 |
| LOTUS | LTS0187856 |
| wikiData | Q105377473 |