Methyl 5-[3-(5-methoxycarbonyl-4-methylpyridin-3-yl)butyl]-4-methylpyridine-3-carboxylate
| Internal ID | dd954780-527c-4f89-86ff-5b86cde11684 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxylic acids |
| IUPAC Name | methyl 5-[3-(5-methoxycarbonyl-4-methylpyridin-3-yl)butyl]-4-methylpyridine-3-carboxylate |
| SMILES (Canonical) | CC1=C(C=NC=C1CCC(C)C2=CN=CC(=C2C)C(=O)OC)C(=O)OC |
| SMILES (Isomeric) | CC1=C(C=NC=C1CCC(C)C2=CN=CC(=C2C)C(=O)OC)C(=O)OC |
| InChI | InChI=1S/C20H24N2O4/c1-12(16-9-22-11-18(14(16)3)20(24)26-5)6-7-15-8-21-10-17(13(15)2)19(23)25-4/h8-12H,6-7H2,1-5H3 |
| InChI Key | UNAIEFOJVLAFEP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O4 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.17360725 g/mol |
| Topological Polar Surface Area (TPSA) | 78.40 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of Methyl 5-[3-(5-methoxycarbonyl-4-methylpyridin-3-yl)butyl]-4-methylpyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-5-3-5-methoxycarbonyl-4-methylpyridin-3-ylbutyl-4-methylpyridine-3-carboxylate.jpg "2D Structure of Methyl 5-[3-(5-methoxycarbonyl-4-methylpyridin-3-yl)butyl]-4-methylpyridine-3-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 | 93.26% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.21% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.49% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.04% | 96.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.04% | 81.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.81% | 90.71% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.66% | 92.29% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.03% | 97.36% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.04% | 95.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.65% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.43% | 94.45% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 83.54% | 92.51% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.53% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.97% | 96.90% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.36% | 94.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.84% | 91.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.20% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.07% | 99.17% |
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.
| Ligustrum vulgare |
| PubChem | 162956329 |
| LOTUS | LTS0206790 |
| wikiData | Q105275862 |