Methyl 6-methylsulfanylcarbonylpyridine-2-carboxylate
| Internal ID | d0e0f340-2cd9-442b-b8eb-2993292db5be |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxylic acids |
| IUPAC Name | methyl 6-methylsulfanylcarbonylpyridine-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H9NO3S/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h3-5H,1-2H3 |
| InChI Key | CGSXJRSUCHVIJN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H9NO3S |
| Molecular Weight | 211.24 g/mol |
| Exact Mass | 211.03031432 g/mol |
| Topological Polar Surface Area (TPSA) | 81.60 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
| 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 | 92.84% | 96.09% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 92.28% | 81.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.62% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.62% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.48% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.91% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.47% | 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.
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| There are no matching plants. |
| PubChem | 13130839 |
| LOTUS | LTS0072344 |
| wikiData | Q104958148 |