(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
| Internal ID | 6aae6995-0497-4178-bc90-de7ce3b9d77d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione |
| SMILES (Canonical) | CN1C(C(=O)NC(C1=O)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43 |
| SMILES (Isomeric) | CN1[C@H](C(=O)N[C@H](C1=O)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43 |
| InChI | InChI=1S/C21H21N3O2/c1-24-19(12-15-13-22-17-10-6-5-9-16(15)17)20(25)23-18(21(24)26)11-14-7-3-2-4-8-14/h2-10,13,18-19,22H,11-12H2,1H3,(H,23,25)/t18-,19-/m0/s1 |
| InChI Key | XTHCOAZHAYZMDV-OALUTQOASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H21N3O2 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.16337692 g/mol |
| Topological Polar Surface Area (TPSA) | 65.20 Ų |
| XlogP | 3.00 |
| 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 | 99.04% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.24% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.92% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.69% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.04% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.24% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.94% | 94.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.66% | 98.59% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 88.55% | 90.71% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.94% | 88.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.26% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.88% | 92.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.82% | 83.82% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 85.51% | 96.25% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.05% | 92.67% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 81.44% | 99.52% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.51% | 94.00% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 80.31% | 96.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.20% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163189414 |
| LOTUS | LTS0080239 |
| wikiData | Q105341557 |