(E)-2-methyl-N-[2-(11-methylsulfanyl-12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]but-2-enamide
| Internal ID | 5bc07242-1fe9-4342-82e3-1d6e75ed6fe4 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Pyridoacridones > Pyrido[2,3,4-kl]acridones |
| IUPAC Name | (E)-2-methyl-N-[2-(11-methylsulfanyl-12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]but-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H21N3O2S/c1-4-13(2)23(28)25-12-10-16-19-18-15(14-7-5-6-8-17(14)26-19)9-11-24-20(18)21(27)22(16)29-3/h4-9,11H,10,12H2,1-3H3,(H,25,28)/b13-4+ |
| InChI Key | WXEMIYSXZJPISS-YIXHJXPBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H21N3O2S |
| Molecular Weight | 403.50 g/mol |
| Exact Mass | 403.13544809 g/mol |
| Topological Polar Surface Area (TPSA) | 97.30 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (E)-2-methyl-N-[2-(11-methylsulfanyl-12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]but-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/60caa330-884c-11ee-816a-e785be37e3ac.jpg "2D Structure of (E)-2-methyl-N-[2-(11-methylsulfanyl-12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]but-2-enamide")
| 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 |
|---|---|---|---|---|
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 98.23% | 95.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.69% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.58% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.00% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.43% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.95% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.44% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.41% | 98.59% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.40% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.18% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.08% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.20% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.94% | 95.56% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 87.04% | 96.47% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.40% | 96.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.15% | 96.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.65% | 95.83% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.11% | 96.39% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.91% | 95.50% |
| CHEMBL240 | Q12809 | HERG | 82.77% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.17% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.44% | 90.17% |
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 | 10386462 |
| LOTUS | LTS0209054 |
| wikiData | Q105314547 |