(4-Methoxycarbonyl-7-methyl-1-oxo-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridin-6-yl) 1-methyl-2,7-naphthyridine-4-carboxylate
| Internal ID | 50c7a055-dc98-4bd7-8207-4b2d119bfab0 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines > Naphthyridine carboxylic acids and derivatives |
| IUPAC Name | (4-methoxycarbonyl-7-methyl-1-oxo-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridin-6-yl) 1-methyl-2,7-naphthyridine-4-carboxylate |
| SMILES (Canonical) | CC1C(CC2C1C(=O)NC=C2C(=O)OC)OC(=O)C3=CN=C(C4=C3C=CN=C4)C |
| SMILES (Isomeric) | CC1C(CC2C1C(=O)NC=C2C(=O)OC)OC(=O)C3=CN=C(C4=C3C=CN=C4)C |
| InChI | InChI=1S/C21H21N3O5/c1-10-17(6-13-16(20(26)28-3)9-24-19(25)18(10)13)29-21(27)15-8-23-11(2)14-7-22-5-4-12(14)15/h4-5,7-10,13,17-18H,6H2,1-3H3,(H,24,25) |
| InChI Key | OQNGKOGIIJKTDE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H21N3O5 |
| Molecular Weight | 395.40 g/mol |
| Exact Mass | 395.14812078 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (4-Methoxycarbonyl-7-methyl-1-oxo-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridin-6-yl) 1-methyl-2,7-naphthyridine-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/af7f1300-85eb-11ee-beef-ff446df0c540.jpg "2D Structure of (4-Methoxycarbonyl-7-methyl-1-oxo-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridin-6-yl) 1-methyl-2,7-naphthyridine-4-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.22% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.70% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.29% | 97.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.56% | 90.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.68% | 97.36% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.86% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.39% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.79% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.46% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.06% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.56% | 98.59% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.46% | 93.65% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.23% | 95.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 86.45% | 98.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.69% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.51% | 97.09% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 84.40% | 96.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.06% | 95.89% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.86% | 96.00% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 82.66% | 89.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.08% | 86.33% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 81.55% | 97.53% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.70% | 94.33% |
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.
| Scaevola racemigera |
| PubChem | 13857106 |
| LOTUS | LTS0124442 |
| wikiData | Q105197042 |