N-(7-butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide
| Internal ID | 147fee42-f6ef-4bbd-a80d-35b88bbbc7e2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | N-(7-butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39) |
| InChI Key | ZNUMAFXIQXNMMH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H43N5O4 |
| Molecular Weight | 573.70 g/mol |
| Exact Mass | 573.33150487 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of N-(7-butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide](https://plantaedb.com/storage/docs/compounds/2023/11/cf2a9f30-8616-11ee-a541-9d7949ab9727.jpg "2D Structure of N-(7-butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.00% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.99% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.03% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.94% | 97.79% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.72% | 90.08% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.58% | 96.61% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.14% | 88.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.76% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.50% | 92.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.33% | 90.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.65% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.96% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.44% | 99.23% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 89.04% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.47% | 99.17% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.00% | 97.64% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.79% | 83.10% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.71% | 98.75% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.50% | 98.57% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.97% | 95.71% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 82.82% | 97.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.74% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.04% | 94.73% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 80.67% | 90.71% |
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.
| Discaria americana |
| PubChem | 99780 |
| LOTUS | LTS0084766 |
| wikiData | Q105380234 |