(1S,5R)-3-amino-7,8-dibromo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-2,7,9-trien-11-one
| Internal ID | 89a8b36d-1a90-4a84-9a5b-4a09a188c02e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > 2-heteroaryl carboxamides |
| IUPAC Name | (1S,5R)-3-amino-7,8-dibromo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-2,7,9-trien-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H11Br2N5O/c12-5-4-6-8(19)17-3-1-2-11(17)9(15-10(14)16-11)18(6)7(5)13/h4,9H,1-3H2,(H3,14,15,16)/t9-,11+/m1/s1 |
| InChI Key | MKCFBJDWCJAOTN-KOLCDFICSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H11Br2N5O |
| Molecular Weight | 389.05 g/mol |
| Exact Mass | 388.93099 g/mol |
| Topological Polar Surface Area (TPSA) | 75.70 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (1S,5R)-3-amino-7,8-dibromo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-2,7,9-trien-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/d4e1cb30-82ca-11ee-a2b3-5515e8389ea4.jpg "2D Structure of (1S,5R)-3-amino-7,8-dibromo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-2,7,9-trien-11-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 |
|---|---|---|---|---|
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 98.30% | 95.92% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 98.23% | 94.75% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 96.42% | 95.69% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.36% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.97% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.15% | 93.40% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.14% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.11% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.34% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 92.52% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.24% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.46% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.18% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.59% | 94.45% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 88.60% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.40% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.90% | 92.94% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.17% | 94.42% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.88% | 95.51% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 86.78% | 80.71% |
| CHEMBL1865 | Q9UBN7 | Histone deacetylase 6 | 85.77% | 97.03% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.50% | 95.88% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 85.23% | 99.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.96% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.87% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.48% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.93% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.99% | 90.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.35% | 94.78% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.98% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.41% | 99.23% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.88% | 86.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.70% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 44126872 |
| LOTUS | LTS0222794 |
| wikiData | Q105165815 |