(4-methoxycarbonyl-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl) 1-methyl-1,2-dihydro-2,7-naphthyridine-4-carboxylate
| Internal ID | 259a9c07-d88d-4d12-9bfe-d553018a13d4 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines > Naphthyridine carboxylic acids and derivatives |
| IUPAC Name | (4-methoxycarbonyl-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl) 1-methyl-1,2-dihydro-2,7-naphthyridine-4-carboxylate |
| SMILES (Canonical) | CC1C(CC2=C(C=NC=C12)C(=O)OC)OC(=O)C3=CNC(C4=C3C=CN=C4)C |
| SMILES (Isomeric) | CC1C(CC2=C(C=NC=C12)C(=O)OC)OC(=O)C3=CNC(C4=C3C=CN=C4)C |
| InChI | InChI=1S/C21H21N3O4/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/h4-5,7-12,19,24H,6H2,1-3H3 |
| InChI Key | VPKQJEIHIRHOKN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H21N3O4 |
| Molecular Weight | 379.40 g/mol |
| Exact Mass | 379.15320616 g/mol |
| Topological Polar Surface Area (TPSA) | 90.40 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (4-methoxycarbonyl-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl) 1-methyl-1,2-dihydro-2,7-naphthyridine-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/6ceaae50-85ce-11ee-8eaf-4b5ed3e92c4c.jpg "2D Structure of (4-methoxycarbonyl-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl) 1-methyl-1,2-dihydro-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 | 98.15% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.95% | 97.79% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.37% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.29% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.95% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.81% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.36% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.88% | 86.33% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.31% | 98.59% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.97% | 91.24% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.80% | 97.33% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 86.66% | 91.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.18% | 92.88% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.13% | 93.03% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 85.54% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.34% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.88% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.25% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.64% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.53% | 98.99% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.30% | 94.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.95% | 96.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.82% | 94.45% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.30% | 96.00% |
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 | 13857104 |
| LOTUS | LTS0122555 |
| wikiData | Q105290843 |