(4S)-4-[(4R)-2-amino-5-oxo-1,4-dihydroimidazol-4-yl]-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
| Internal ID | 8b1f580a-954a-4826-8b5f-cd2e7131a948 |
| Taxonomy | Organoheterocyclic compounds > Pyrroloazepines |
| IUPAC Name | (4S)-4-[(4R)-2-amino-5-oxo-1,4-dihydroimidazol-4-yl]-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one |
| SMILES (Canonical) | C1CNC(=O)C2=C(C1C3C(=O)NC(=N3)N)C=C(N2)Br |
| SMILES (Isomeric) | C1CNC(=O)C2=C([C@H]1[C@@H]3C(=O)NC(=N3)N)C=C(N2)Br |
| InChI | InChI=1S/C11H12BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-4,7,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/t4-,7+/m0/s1 |
| InChI Key | GDKCTONCNCFKMD-MHTLYPKNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H12BrN5O2 |
| Molecular Weight | 326.15 g/mol |
| Exact Mass | 325.01744 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (4S)-4-[(4R)-2-amino-5-oxo-1,4-dihydroimidazol-4-yl]-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/d319b600-8512-11ee-a90e-2b8eaaf807bd.jpg "2D Structure of (4S)-4-[(4R)-2-amino-5-oxo-1,4-dihydroimidazol-4-yl]-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.69% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.23% | 95.93% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 94.56% | 95.72% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.32% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.10% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.62% | 97.25% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.16% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.57% | 96.09% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 89.49% | 88.84% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.11% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.82% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.46% | 85.30% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 86.82% | 80.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.20% | 90.24% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 85.95% | 95.20% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.81% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.79% | 94.45% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.69% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.45% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.30% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.51% | 92.94% |
| CHEMBL4070 | P19784 | Casein kinase II alpha (prime) | 83.29% | 91.67% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.92% | 83.10% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.90% | 80.96% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.78% | 86.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.43% | 93.04% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.37% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.22% | 98.59% |
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 | 53240374 |
| LOTUS | LTS0084368 |
| wikiData | Q105006751 |