Methyl 12-amino-4-bromo-7-oxo-5,8,11,13-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-14-carboxylate
| Internal ID | 5c5bf6f3-fd9f-477d-8728-7efc4ddabf70 |
| Taxonomy | Organoheterocyclic compounds > Pyrroloazepines |
| IUPAC Name | methyl 12-amino-4-bromo-7-oxo-5,8,11,13-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-14-carboxylate |
| SMILES (Canonical) | COC(=O)C1=NC(=NC2=C1C3=C(C(=O)NC2)NC(=C3)Br)N |
| SMILES (Isomeric) | COC(=O)C1=NC(=NC2=C1C3=C(C(=O)NC2)NC(=C3)Br)N |
| InChI | InChI=1S/C12H10BrN5O3/c1-21-11(20)9-7-4-2-6(13)17-8(4)10(19)15-3-5(7)16-12(14)18-9/h2,17H,3H2,1H3,(H,15,19)(H2,14,16,18) |
| InChI Key | BMWOCQVKJMSXMM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H10BrN5O3 |
| Molecular Weight | 352.14 g/mol |
| Exact Mass | 350.99670 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of Methyl 12-amino-4-bromo-7-oxo-5,8,11,13-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-14-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/c6046870-8628-11ee-9b8c-abf6c3208d9c.jpg "2D Structure of Methyl 12-amino-4-bromo-7-oxo-5,8,11,13-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-14-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 97.61% | 95.72% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.00% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.96% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 94.32% | 85.30% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.91% | 91.11% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.54% | 96.21% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.34% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.44% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.97% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.99% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.70% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.78% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.07% | 86.33% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 85.73% | 93.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.91% | 90.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.11% | 96.67% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 83.32% | 88.84% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.26% | 94.73% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.82% | 96.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.53% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.50% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.27% | 94.42% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.13% | 99.17% |
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 | 71496944 |
| LOTUS | LTS0079981 |
| wikiData | Q104938625 |