[(4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl] 1-methyl-2,7-naphthyridine-4-carboxylate
| Internal ID | 8f0a73dc-dbb0-4fac-a8ab-4dfbd02fff19 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines > Naphthyridine carboxylic acids and derivatives |
| IUPAC Name | [(4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl] 1-methyl-2,7-naphthyridine-4-carboxylate |
| SMILES (Canonical) | CC1C(CC2C1CNC=C2C(=O)OC)OC(=O)C3=CN=C(C4=C3C=CN=C4)C |
| SMILES (Isomeric) | C[C@H]1[C@H](C[C@H]2[C@@H]1CNC=C2C(=O)OC)OC(=O)C3=CN=C(C4=C3C=CN=C4)C |
| InChI | InChI=1S/C21H23N3O4/c1-11-15-7-23-9-17(20(25)27-3)14(15)6-19(11)28-21(26)18-10-24-12(2)16-8-22-5-4-13(16)18/h4-5,8-11,14-15,19,23H,6-7H2,1-3H3/t11-,14+,15-,19+/m1/s1 |
| InChI Key | UUUVDTPLNZNLMK-CEMCJKAASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H23N3O4 |
| Molecular Weight | 381.40 g/mol |
| Exact Mass | 381.16885622 g/mol |
| Topological Polar Surface Area (TPSA) | 90.40 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [(4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl] 1-methyl-2,7-naphthyridine-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/f1bc0520-83b6-11ee-8a9b-2b2456e6dc46.jpg "2D Structure of [(4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[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 | 97.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.82% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.13% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.17% | 97.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.54% | 85.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.23% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.98% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.15% | 94.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 88.55% | 81.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.42% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.64% | 90.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 86.51% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.38% | 94.73% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 86.22% | 98.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.08% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.12% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.00% | 98.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.04% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.85% | 99.17% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.14% | 97.53% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.66% | 98.59% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.36% | 95.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.28% | 91.24% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.21% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.09% | 95.50% |
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 | 23242623 |
| LOTUS | LTS0206551 |
| wikiData | Q105279612 |