Methyl 5-[4-(5-methoxycarbonylpyridin-3-yl)butan-2-yl]-4-methylpyridine-3-carboxylate
| Internal ID | 1773a9be-e37c-4b4b-be38-b724bbe21be4 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxylic acids |
| IUPAC Name | methyl 5-[4-(5-methoxycarbonylpyridin-3-yl)butan-2-yl]-4-methylpyridine-3-carboxylate |
| SMILES (Canonical) | CC1=C(C=NC=C1C(C)CCC2=CC(=CN=C2)C(=O)OC)C(=O)OC |
| SMILES (Isomeric) | CC1=C(C=NC=C1C(C)CCC2=CC(=CN=C2)C(=O)OC)C(=O)OC |
| InChI | InChI=1S/C19H22N2O4/c1-12(16-10-21-11-17(13(16)2)19(23)25-4)5-6-14-7-15(9-20-8-14)18(22)24-3/h7-12H,5-6H2,1-4H3 |
| InChI Key | URNOGFGMGSXVMO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22N2O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.15795719 g/mol |
| Topological Polar Surface Area (TPSA) | 78.40 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of Methyl 5-[4-(5-methoxycarbonylpyridin-3-yl)butan-2-yl]-4-methylpyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-5-4-5-methoxycarbonylpyridin-3-ylbutan-2-yl-4-methylpyridine-3-carboxylate.jpg "2D Structure of Methyl 5-[4-(5-methoxycarbonylpyridin-3-yl)butan-2-yl]-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 |
|---|---|---|---|---|
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 93.10% | 81.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.81% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.76% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.03% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.70% | 95.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.34% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.63% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.47% | 99.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.30% | 92.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.29% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.99% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.91% | 96.90% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.75% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.61% | 95.89% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.57% | 87.67% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.51% | 97.36% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.26% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.45% | 96.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.29% | 94.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.04% | 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.
| Ligustrum vulgare |
| PubChem | 162917519 |
| LOTUS | LTS0262652 |
| wikiData | Q105277881 |