2-[[2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-2-pyrrolidin-2-ylacetic acid
| Internal ID | 8787a076-2958-48dd-b41f-30b19e4ceed4 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-2-pyrrolidin-2-ylacetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H23ClN4O5/c1-20(19(29)23-16(18(27)28)12-4-3-5-22-12)9-30-17(24-20)11-8-25(2)13-6-10(21)7-14(26)15(11)13/h6-8,12,16,22,26H,3-5,9H2,1-2H3,(H,23,29)(H,27,28) |
| InChI Key | ATUNGSWCIOHXCD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H23ClN4O5 |
| Molecular Weight | 434.90 g/mol |
| Exact Mass | 434.1356975 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 2-[[2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-2-pyrrolidin-2-ylacetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/91a97a80-8678-11ee-9a7d-47c202e88682.jpg "2D Structure of 2-[[2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-2-pyrrolidin-2-ylacetic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.70% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.46% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.62% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.31% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.19% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.97% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.73% | 99.15% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.45% | 96.21% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.14% | 89.63% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.90% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.19% | 83.82% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 87.51% | 97.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.31% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.26% | 94.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.99% | 95.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.47% | 97.09% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 85.42% | 80.71% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 84.95% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.94% | 89.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.91% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.72% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.68% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.29% | 94.75% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.56% | 80.96% |
| CHEMBL5028 | O14672 | ADAM10 | 83.51% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.58% | 92.88% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163041258 |
| LOTUS | LTS0237506 |
| wikiData | Q103816420 |