Saroclazine A
| Internal ID | d598e4a1-27f8-4e5a-a61f-f26c82f5070c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3R,6R)-1-methyl-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulfanyl)piperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H26N2O3S2/c1-13(2)10-11-24-15-8-6-14(7-9-15)12-19(26-5)18(23)20-16(25-4)17(22)21(19)3/h6-10,16H,11-12H2,1-5H3,(H,20,23)/t16-,19-/m1/s1 |
| InChI Key | NMQSSHOBHPHGEF-VQIMIIECSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H26N2O3S2 |
| Molecular Weight | 394.60 g/mol |
| Exact Mass | 394.13848504 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 3.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.31% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.08% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.66% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.93% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.40% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.03% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.25% | 98.59% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.64% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.36% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.61% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.59% | 90.24% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 85.27% | 92.12% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.10% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.00% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.14% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.12% | 89.34% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.70% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.16% | 94.75% |
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.
| There are no matching plants. |
| PubChem | 146684474 |
| LOTUS | LTS0086873 |
| wikiData | Q105181928 |