3-amino-12-(6-bromo-1H-indol-3-yl)-10-imino-6-(1H-indol-3-yl)-9,11-dimethyl-2,4,9,11-tetrazadispiro[4.1.47.15]dodec-3-ene-1,8-dione
| Internal ID | 96debd27-6cea-41cd-a01f-07edd4ebf12c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-amino-12-(6-bromo-1H-indol-3-yl)-10-imino-6-(1H-indol-3-yl)-9,11-dimethyl-2,4,9,11-tetrazadispiro[4.1.47.15]dodec-3-ene-1,8-dione |
| SMILES (Canonical) | CN1C(=O)C2(C(C3(C2C4=CNC5=C4C=CC(=C5)Br)C(=O)NC(=N3)N)C6=CNC7=CC=CC=C76)N(C1=N)C |
| SMILES (Isomeric) | CN1C(=O)C2(C(C3(C2C4=CNC5=C4C=CC(=C5)Br)C(=O)NC(=N3)N)C6=CNC7=CC=CC=C76)N(C1=N)C |
| InChI | InChI=1S/C26H23BrN8O2/c1-34-22(37)26(35(2)24(34)29)19(15-10-30-17-6-4-3-5-13(15)17)25(21(36)32-23(28)33-25)20(26)16-11-31-18-9-12(27)7-8-14(16)18/h3-11,19-20,29-31H,1-2H3,(H3,28,32,33,36) |
| InChI Key | ZGQPAKMMZIVWLH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H23BrN8O2 |
| Molecular Weight | 559.40 g/mol |
| Exact Mass | 558.11273 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 3-amino-12-(6-bromo-1H-indol-3-yl)-10-imino-6-(1H-indol-3-yl)-9,11-dimethyl-2,4,9,11-tetrazadispiro[4.1.47.15]dodec-3-ene-1,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d4a84fe0-84fd-11ee-aae2-bb68cc4aefd4.jpg "2D Structure of 3-amino-12-(6-bromo-1H-indol-3-yl)-10-imino-6-(1H-indol-3-yl)-9,11-dimethyl-2,4,9,11-tetrazadispiro[4.1.47.15]dodec-3-ene-1,8-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.00% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.75% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.11% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.01% | 91.11% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 91.69% | 89.44% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.67% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.36% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.27% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.77% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.42% | 94.45% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.05% | 85.49% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.66% | 85.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.95% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.16% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.98% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.49% | 89.62% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.48% | 94.62% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.32% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.69% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.16% | 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 | 75167616 |
| LOTUS | LTS0202716 |
| wikiData | Q105375370 |